data_2dbd_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 2dbd _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.4 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -24.01 39.98 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.59 2.193 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -91.3 -42.6 10.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.209 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.8 mt -70.58 -37.98 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.36 -34.99 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.37 -31.51 72.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.58 -41.05 47.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -71.42 -45.59 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -100.83 31.41 3.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -67.06 -30.79 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.54 -30.19 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.5 -37.02 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.29 -32.07 73.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.7 t -73.65 -24.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -92.32 -29.25 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -86.93 -52.47 5.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.031 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.5 mt -66.78 142.4 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -130.93 -46.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.05 114.56 20.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 p -105.82 -33.83 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -38.37 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.6 -41.13 98.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' A' ' 77' ' ' PHE . 10.2 mt -63.18 -31.79 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.44 -40.24 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -60.32 -37.32 80.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -77.43 -35.29 54.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 41' ' ' PHE . 26.7 mt -74.88 -31.66 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.23 -41.88 84.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -71.77 -30.99 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -82.57 0.07 44.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.329 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 65.02 52.99 1.44 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -119.5 -42.03 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' A' ' 35' ' ' LEU . 5.0 m-85 -107.6 123.13 48.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -82.44 172.47 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.96 73.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -73.14 -52.43 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.49 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.197 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.94 -31.11 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mt -75.15 -41.47 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.2 t -61.06 -57.25 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.02 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.99 -30.7 69.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.29 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 m -54.7 150.54 17.79 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.013 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.32 -36.17 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.624 2.216 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.5 p -135.21 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -70.25 -52.34 12.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -48.93 -27.02 10.89 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.458 2.105 . . . . 0.0 112.301 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.42 -35.08 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.09 -47.01 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -33.63 76.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -67.92 -45.87 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.7 mt -62.96 -43.05 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 mt -58.86 -42.94 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.1 -34.48 78.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.8 mt -68.07 -52.46 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.7 t -56.67 -39.6 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.76 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -34.67 64.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 19.2 mttm -65.84 -65.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.23 -169.94 30.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.61 -26.42 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.324 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.45 -47.41 79.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.4 t -85.62 -33.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -60.64 -34.2 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.35 -38.01 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 80' ' ' LEU . 67.8 t80 -75.94 -42.84 47.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.421 ' CE1' HD22 ' A' ' 31' ' ' LEU . 61.0 t80 -60.84 -42.46 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -30.46 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.54 -41.22 93.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 76' ' ' PHE . 10.3 mt -59.38 -30.21 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.0 mt -65.45 -28.69 69.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -82.87 -59.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.054 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.9 mt -91.32 -22.27 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.1 -28.31 4.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -29.49 67.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.69 39.19 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.409 ' CD2' HD12 ' A' ' 91' ' ' LEU . 3.7 m-85 -130.0 172.06 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.7 -44.81 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.8 -31.38 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 88' ' ' TYR . 32.3 mt -96.2 117.57 31.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.405 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.36 -61.42 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 40.8 Cg_endo -67.11 -26.37 42.86 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.401 2.067 . . . . 0.0 112.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -65.82 -52.79 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.19 -33.83 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.26 -29.37 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.35 -48.56 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.6 pt -74.39 -34.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.68 89.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.866 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.418 ' CD2' ' HG3' ' A' ' 71' ' ' GLU . 26.3 m80 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.488 0.185 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.21 -23.18 22.11 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.483 2.122 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -89.18 -42.12 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.0 mt -75.59 -41.29 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.17 -37.86 75.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.4 -31.13 71.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.4 mt -80.4 -39.94 27.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -68.76 -33.35 73.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -81.67 -45.37 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.53 45.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -50.95 10.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.49 -30.23 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.38 -34.29 67.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.2 mt -72.82 -30.64 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.0 t -68.23 -30.0 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.244 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -86.23 -27.11 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -85.02 -48.98 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.1 mt -70.1 131.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -105.8 -54.24 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.48 129.24 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 p -112.26 -34.41 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -34.66 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.93 -44.78 96.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.0 -43.42 95.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.64 -33.47 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.58 -52.06 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -64.18 -37.09 86.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD11 ' CE1' ' A' ' 41' ' ' PHE . 42.4 mt -67.53 -31.45 71.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.63 -39.57 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -34.33 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -82.58 0.08 44.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.55 38.16 4.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -98.85 -43.56 6.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 35' ' ' LEU . 1.7 m-85 -93.26 168.06 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.34 170.62 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.04 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.32 -44.68 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -62.15 -49.44 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.02 -30.07 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.85 -33.68 76.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.09 -39.12 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.9 -63.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -58.36 -28.61 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.19 -23.7 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.354 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.2 m -55.41 148.74 31.47 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.575 2.183 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.8 p -122.07 178.17 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -76.35 -53.64 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.48 -27.85 19.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.538 2.159 . . . . 0.0 112.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -33.34 64.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -65.36 -34.22 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.01 -36.58 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.7 -30.99 64.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -73.31 -42.1 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.4 mt -66.52 -30.34 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.45 -43.77 59.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.98 -37.23 86.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.2 mt -70.13 -55.62 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.0 t -59.51 -31.59 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -74.96 -39.61 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -66.31 -34.04 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 31.8 mttm -60.75 -75.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.07 -163.4 36.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' CD2' ' A' ' 8' ' ' HIS . 6.0 mt-10 -74.42 -27.77 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -40.74 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.978 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.84 -30.82 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 t -60.71 -38.8 86.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -68.54 -46.28 69.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -60.56 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.33 -31.3 58.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.3 -38.63 90.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.72 -33.45 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -59.94 -31.02 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -80.12 -40.75 26.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -45.98 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mt -71.72 -19.75 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.13 -25.98 10.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.4 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.99 -50.48 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.18 -36.01 27.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -62.54 -177.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -145.15 -46.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -58.62 -29.9 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.9 mt -103.82 125.34 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 3.6 mtp180 179.9 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 48.6 Cg_endo -69.09 -26.69 30.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.403 2.069 . . . . 0.0 112.378 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.9 mt -69.36 -46.07 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.75 -30.83 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.37 -56.78 4.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -61.58 -33.07 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.63 73.53 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.425 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.415 ' CG ' HD11 ' A' ' 11' ' ' ILE . 22.6 m80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.694 0.283 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 -23.84 19.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.513 2.142 . . . . 0.0 112.484 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -90.2 -43.92 10.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.415 HD11 ' CG ' ' A' ' 8' ' ' HIS . 27.6 mt -72.67 -36.23 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.07 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.5 mt -80.36 -45.17 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -60.11 -48.33 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -41.22 76.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -105.4 40.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -72.48 -59.42 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.49 -31.4 70.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.9 tp -66.87 -32.71 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.0 mt -78.46 -31.29 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.19 -30.16 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -93.4 -35.34 13.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.415 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.9 m-70 -69.67 -57.92 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.9 mt -73.84 123.22 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -33.49 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -98.87 110.8 23.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -98.54 -30.73 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -57.75 -38.86 76.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -38.64 82.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -50.24 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.23 -38.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.57 81.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -67.71 -42.46 81.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.13 -37.0 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.3 mt -71.6 -45.56 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -61.41 -37.75 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -82.46 0.15 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.406 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.19 61.01 0.93 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.001 0.429 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -119.35 -48.2 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -93.31 -177.92 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -134.08 167.18 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.13 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.172 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -67.89 -41.56 82.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.51 -51.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.76 71.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -41.19 92.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.88 -37.46 79.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.54 -55.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.35 -23.13 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.5 m -54.76 147.81 29.72 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.85 -43.88 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.406 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.6 p -115.69 -176.75 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -77.36 -53.32 1.64 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 74.7 Cg_exo -50.44 -30.13 26.38 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.566 2.177 . . . . 0.0 112.362 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -35.32 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -64.3 -44.45 91.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.4 t -61.26 -30.84 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.31 -34.04 55.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -68.04 -39.26 83.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.05 -47.09 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.31 -37.19 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.74 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 mt -68.61 -55.03 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.49 -38.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -63.21 -30.15 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 m -87.25 -30.88 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -59.7 -49.5 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.73 176.44 18.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.517 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.36 -29.17 69.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.706 0.289 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.82 -56.97 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.8 t -66.4 -30.82 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.3 t -60.94 -47.88 84.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.99 -43.05 99.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CE2' HD13 ' A' ' 80' ' ' LEU . 58.9 t80 -65.08 -37.02 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -69.18 -31.65 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -85.91 -30.4 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -39.45 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' A' ' 76' ' ' PHE . 6.7 mt -68.09 -30.88 70.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.0 mt -59.27 -29.4 67.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -78.44 -45.93 21.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -49.32 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.8 mt -74.58 -15.49 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.58 -27.65 7.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.78 0.324 . . . . 0.0 111.406 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -31.95 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.91 -35.43 24.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -79.08 161.05 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.86 27.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.44 -38.7 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.033 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mt -96.37 31.31 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.34 -52.13 5.38 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 94.7 Cg_endo -80.35 -25.29 4.83 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.604 2.203 . . . . 0.0 112.384 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -57.36 -61.57 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.91 -34.42 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.38 -30.62 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.58 -68.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.3 pt -59.26 -29.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.45 91.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.566 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.41 ' CG ' HD13 ' A' ' 11' ' ' ILE . 75.2 m80 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.453 0.168 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.59 -27.14 32.99 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.404 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -83.31 -43.69 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.41 HD13 ' CG ' ' A' ' 8' ' ' HIS . 28.0 mt -73.36 -39.0 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.84 -30.59 69.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt -59.96 -31.46 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 mt -81.16 -42.7 20.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -61.53 -47.08 87.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -69.57 -38.19 77.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -107.99 38.41 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -71.02 -56.01 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.51 -30.7 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.05 -43.67 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.35 -31.86 69.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.86 -30.4 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 m -85.72 -37.38 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -71.79 -47.82 50.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.4 mt -75.57 120.79 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -104.81 -39.57 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -98.01 130.74 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -110.21 -31.81 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -31.67 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -65.49 -39.01 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.32 -43.99 65.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.0 t -68.03 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.44 -51.53 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -67.45 -44.22 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.403 HD12 ' CE1' ' A' ' 41' ' ' PHE . 35.9 mt -59.39 -31.99 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.25 -45.78 53.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -66.03 -33.65 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -82.01 0.13 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.42 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 62.96 44.67 5.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -107.69 -37.02 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 2.6 m-85 -105.36 133.95 49.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -77.28 163.82 26.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.33 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -37.98 81.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.33 -49.18 78.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.73 -30.44 64.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.5 mt -74.86 -32.14 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.95 -47.9 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -26.79 68.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -26.47 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.353 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.0 147.15 65.78 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.35 -37.36 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.593 2.195 . . . . 0.0 112.537 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.3 p -127.43 -177.77 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.52 -53.65 5.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 79.9 Cg_exo -47.81 -27.46 8.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.594 2.196 . . . . 0.0 112.347 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.52 -31.73 29.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -67.09 -44.55 79.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.36 -33.9 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -37.64 71.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -66.54 -35.74 80.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.0 mt -69.24 -46.51 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.62 -40.54 83.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.43 -36.7 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.6 -56.87 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.37 -31.93 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -68.15 -30.62 69.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -88.17 -29.85 20.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 18.2 mttm -57.89 -53.6 56.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.21 -160.89 27.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.565 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.7 -29.76 25.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.32 -31.35 67.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.9 t -99.33 -30.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 t -67.02 -36.8 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -73.42 -36.2 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.417 ' CD2' HD12 ' A' ' 80' ' ' LEU . 46.5 t80 -73.64 -40.97 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -61.27 -35.43 77.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.7 -30.85 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -40.14 79.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.417 HD12 ' CD2' ' A' ' 76' ' ' PHE . 5.9 mt -59.94 -39.22 84.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.9 mt -59.24 -29.63 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -44.43 62.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -74.69 -56.63 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.12 -19.32 61.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.2 -26.77 4.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.483 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.31 -28.96 57.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.89 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -72.8 154.76 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.53 -30.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.91 -44.44 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.42 121.39 26.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.26 -60.19 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.16 -27.39 11.78 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.576 2.184 . . . . 0.0 112.383 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -62.92 -59.0 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.52 -47.29 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -29.35 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -77.33 -49.08 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 pt -70.43 -25.99 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.46 77.11 0.3 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.4 m80 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.58 -25.39 14.52 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.551 2.167 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -82.77 -54.71 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.432 HD13 HG22 ' A' ' 11' ' ' ILE . 34.7 mt -67.63 -32.37 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -31.58 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.7 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 mt -81.51 -44.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -63.14 -42.24 99.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.56 -41.06 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.15 37.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 ttm105 -72.54 -39.22 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.73 -31.26 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -41.71 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.4 mt -60.19 -36.38 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.33 -30.62 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -88.14 -30.92 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -77.2 -60.61 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.7 mt -71.6 155.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -143.17 -47.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.79 81.42 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.9 p -71.95 -28.27 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -56.56 -30.46 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.8 m -71.63 -45.7 61.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.3 mt -60.89 -43.76 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.77 -33.97 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -52.64 64.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 41' ' ' PHE . 24.4 mt -66.1 -36.97 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -67.74 -45.0 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 2.4 m-80 -82.25 -0.06 43.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.436 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 62.6 39.02 11.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.872 0.367 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 14.5 m-85 -98.84 -49.84 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.8 m-85 -83.44 129.03 34.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -71.28 159.28 34.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.23 -31.78 60.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -66.65 -44.82 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.85 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -30.64 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.2 mt -74.19 -40.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -59.77 -63.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -29.54 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.59 -22.3 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.353 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.5 146.44 33.78 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.46 -34.95 2.38 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.604 2.203 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.0 p -124.87 173.63 8.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.07 -52.21 7.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.5 Cg_exo -50.08 -27.4 16.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.191 . . . . 0.0 112.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -36.29 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -63.85 -42.44 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.07 -37.55 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -73.99 -30.5 62.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppm? -72.18 -40.81 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.59 -39.86 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.4 mt -68.1 -41.03 82.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.56 -34.16 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.68 -46.77 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.2 t -60.21 -31.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -70.25 -31.4 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.9 t -76.83 -32.9 57.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -61.85 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.94 -158.17 27.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.62 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.07 -39.19 74.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.2 t -94.41 -31.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 t -60.98 -38.53 86.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.56 -48.1 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.64 -43.44 93.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -63.46 -41.52 98.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.82 -35.52 64.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.2 -41.56 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.72 -46.91 87.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.06 -29.5 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -53.21 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.005 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -30.05 68.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.3 mt -92.21 -9.1 43.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.429 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.61 -30.11 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -31.31 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.23 -47.11 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -66.38 156.08 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -109.8 28.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.85 -44.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.74 132.5 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 176.79 -57.99 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.08 -13.37 15.65 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.599 2.2 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -79.66 -53.91 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.8 mt -61.71 -47.45 85.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -31.75 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -63.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.77 -28.89 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.05 80.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.838 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 m80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.649 0.261 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.77 -26.04 22.61 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.613 2.209 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -77.81 -59.53 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.05 -40.54 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.33 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.12 -30.44 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.06 -44.35 16.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -65.43 -54.25 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -46.69 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -97.84 37.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.3 -52.76 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -63.76 -32.86 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.01 -33.9 74.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.7 -31.46 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.55 -30.93 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -83.46 -42.9 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.16 -56.62 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.43 124.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -118.04 -40.83 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -83.93 102.76 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.6 p -92.55 -31.44 15.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -59.53 -35.19 73.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.98 -43.87 70.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.26 -45.74 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.46 -35.98 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.09 -45.89 91.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -68.46 -44.78 74.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 41' ' ' PHE . 61.8 mt -58.47 -31.39 67.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.4 -43.99 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -71.5 -30.19 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -81.46 0.21 38.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.24 48.79 3.52 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -115.19 -41.86 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.775 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.4 ' CD1' HD12 ' A' ' 35' ' ' LEU . 4.7 m-85 -107.36 152.31 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -105.67 172.07 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.76 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.83 -42.44 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -59.93 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -30.52 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.33 -32.69 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.0 mt -74.01 -46.94 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.3 -57.11 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.7 m -59.5 -30.44 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.6 -20.53 56.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.333 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.3 m -52.05 157.78 2.04 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.29 -38.24 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -132.71 -177.49 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -71.24 -53.07 8.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.6 Cg_exo -50.23 -27.74 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.543 2.162 . . . . 0.0 112.391 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.88 -31.17 40.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -64.97 -47.67 76.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.4 t -59.65 -35.07 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 tppm? -74.71 -39.59 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 33.2 mt -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.77 -41.12 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -35.54 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -68.28 -58.32 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -54.38 -34.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -67.25 -26.05 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.38 -31.65 20.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -59.92 -67.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 156.12 -177.3 33.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.31 -30.06 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -30.72 66.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.6 t -97.95 -32.67 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.8 t -66.15 -30.57 71.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -79.04 -29.07 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.01 -45.92 17.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -58.95 -51.7 68.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.94 -30.86 69.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -37.93 86.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.45 -31.56 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -69.11 -30.0 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -75.73 -44.79 40.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -76.22 -51.13 12.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.44 -13.15 62.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.99 -29.05 26.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.732 0.301 . . . . 0.0 111.276 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -30.63 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.56 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -74.97 151.37 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -102.58 -34.39 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -30.32 61.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.43 123.76 40.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.408 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -178.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 72.2 Cg_endo -76.45 -31.22 4.59 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -58.89 -53.79 54.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.54 -30.84 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.9 mt -80.16 -29.81 38.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.78 -61.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.9 pt -58.93 -31.61 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.76 77.57 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 m170 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.642 0.258 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.15 -18.27 35.29 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.577 2.185 . . . . 0.0 112.573 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -99.92 -35.56 9.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.024 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.7 mt -76.98 -32.16 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -36.0 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.39 -31.83 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -73.6 -47.85 37.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -63.02 -51.41 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -64.03 -37.87 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -114.28 54.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 ttm-85 -88.0 -51.32 5.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -31.06 70.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 8.9 tp -71.8 -31.35 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.7 mt -73.33 -31.67 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.09 -29.2 45.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.7 m -84.51 -49.14 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.414 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -60.32 -53.57 56.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.45 135.89 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.75 -40.24 3.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -106.02 137.67 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 p -109.2 -34.81 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.57 -30.69 68.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.62 -49.32 78.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.95 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.12 -30.92 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.23 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -70.87 -34.35 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -85.32 -31.07 23.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.08 -31.52 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.98 -36.53 72.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -60.1 -40.33 89.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.41 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 68.3 m-80 -82.81 0.12 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.419 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 65.02 37.61 6.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -90.08 -39.74 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' CD1' ' HE3' ' A' ' 69' ' ' LYS . 1.5 m-85 -96.66 131.46 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.3 m -73.26 168.13 19.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.91 76.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.59 -38.22 83.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.81 -48.52 78.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.69 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -30.41 70.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.3 -39.38 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.27 -52.61 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.03 -29.47 69.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.57 46.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.451 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.26 144.33 51.52 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.061 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.07 -39.16 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.645 2.23 . . . . 0.0 112.42 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.4 p -122.52 -177.35 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 2.3 tp60 -74.87 -53.27 3.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.049 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 73.5 Cg_exo -49.48 -27.63 14.5 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.529 2.153 . . . . 0.0 112.3 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.12 -36.08 61.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -64.78 -51.46 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.15 -29.18 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.25 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -29.71 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -42.94 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.45 -42.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.21 -42.42 95.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -31.27 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -75.86 -45.05 37.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.53 -38.28 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.44 -30.44 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -76.59 -33.08 58.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HE3' ' CD1' ' A' ' 41' ' ' PHE . 60.2 mttm -67.3 -41.07 86.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.45 178.5 16.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.564 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.22 -26.32 68.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.14 -32.33 64.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.3 t -102.93 -29.52 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.72 -38.62 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.9 -43.2 75.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -66.76 -39.56 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -60.15 -49.34 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -30.98 70.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.52 -35.64 80.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.69 -36.07 78.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.17 -31.2 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.54 -41.61 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.47 -44.37 67.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.1 mt -69.28 -13.96 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.56 -26.53 13.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.416 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.0 -30.7 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.09 -32.85 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.9 123.49 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -100.45 31.41 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.15 -46.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mt -80.73 122.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.429 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.49 -52.56 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.429 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.7 Cg_exo -62.58 -30.38 79.22 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.498 2.132 . . . . 0.0 112.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -76.38 -46.73 26.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.79 -31.12 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.73 -30.33 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.02 -57.41 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.78 -28.84 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.7 88.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.5 m170 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.691 0.281 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.2 -28.04 40.32 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -80.36 -42.25 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.4 mt -74.42 -38.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -61.91 -31.2 71.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.44 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.73 -48.72 11.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.002 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -61.63 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.3 t -86.43 -45.61 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -100.14 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -77.37 -31.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.52 -32.18 58.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.1 tp -76.23 -32.55 58.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.18 -36.16 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.9 t -73.34 -30.07 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -83.01 -30.27 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -89.71 -55.07 3.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.962 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.3 mt -66.49 116.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -109.4 -34.42 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.91 110.0 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.6 p -96.68 -41.21 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -56.19 -29.7 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -69.55 -38.75 77.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' A' ' 77' ' ' PHE . 10.7 mt -75.5 -35.51 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.76 -32.87 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.216 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.04 -54.07 43.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -59.72 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.403 HD13 ' CE1' ' A' ' 41' ' ' PHE . 70.1 mt -59.84 -31.23 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.0 mt -76.0 -46.8 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -63.83 -32.15 73.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.7 0.12 44.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.359 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.2 58.68 1.12 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -121.83 -42.95 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.403 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.5 m-85 -97.05 145.12 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -90.92 168.19 11.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -31.31 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -78.12 -30.86 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.08 -47.04 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.22 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -64.46 -32.76 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mt -72.59 -31.52 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.09 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.72 -51.75 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.69 -31.51 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.66 -20.87 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.351 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.5 m -54.57 138.16 61.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.4 -31.53 3.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.546 2.164 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.3 p -122.9 178.75 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 4.8 tp60 -76.75 -51.04 2.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 71.8 Cg_exo -48.79 -27.0 10.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.147 . . . . 0.0 112.409 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.61 -35.27 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.792 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -63.49 -48.89 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.39 -42.8 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -68.37 -30.5 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -68.73 -41.73 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.3 mt -65.89 -42.54 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.64 -40.17 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.81 -32.03 70.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.23 -45.43 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.1 t -64.74 -37.27 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.75 -31.46 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -73.39 -33.62 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -66.37 -45.59 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.76 -163.65 24.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -26.47 41.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -31.47 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.92 -30.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -61.22 -33.05 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -75.31 -42.07 55.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.23 -33.9 75.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.412 ' CE1' HD23 ' A' ' 31' ' ' LEU . 33.4 t80 -72.89 -32.55 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.3 mt -77.86 -31.49 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.97 -34.92 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.24 -37.02 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.62 -29.92 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -60.74 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.96 -44.54 92.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.0 -14.49 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.368 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.54 10.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.441 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -59.16 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.993 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.98 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -72.57 176.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.18 -46.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.47 -32.64 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.54 107.9 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 1.7 ttp180 -179.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 33.1 Cg_endo -64.22 -27.65 64.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.438 2.092 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -67.36 -43.91 80.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.83 -51.01 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.09 -31.27 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 pt -60.66 -28.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.68 87.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.0 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.676 0.274 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.87 -18.75 47.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.529 2.153 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -93.74 -38.29 11.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 HG22 HD12 ' A' ' 11' ' ' ILE . 29.7 mt -76.3 -43.75 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.223 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.96 -30.97 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.79 -31.57 71.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 mt -78.94 -41.39 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -70.02 -52.97 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 t -60.08 -44.97 94.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -101.0 34.43 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -69.82 -44.54 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.5 tp -75.58 -43.07 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.31 -35.6 81.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.0 t -71.96 -28.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.3 m -86.33 -35.98 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.981 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.415 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -81.71 -54.39 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 124.91 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -111.48 -44.59 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -89.41 127.52 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.85 -34.16 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -57.68 -36.61 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.2 m -60.2 -39.97 88.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.11 -34.11 65.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.73 -33.39 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -40.73 83.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -70.97 -47.17 60.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 HD13 ' CE1' ' A' ' 41' ' ' PHE . 21.9 mt -60.32 -35.98 76.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.72 -46.31 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -60.97 -37.47 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -82.78 0.08 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.35 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 65.98 71.14 0.42 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -132.34 -48.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.3 m-85 -93.63 151.85 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m -104.36 168.73 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.94 71.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -76.71 -31.82 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.91 -48.33 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.37 71.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -36.8 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.52 -36.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.27 -61.35 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -60.47 -28.53 68.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.38 37.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.352 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.79 156.38 4.95 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -77.99 -39.21 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.601 2.2 . . . . 0.0 112.4 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.1 p -130.91 -177.34 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.53 -52.45 6.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.4 Cg_exo -50.31 -28.09 19.7 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.594 2.196 . . . . 0.0 112.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.89 -32.84 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -63.94 -42.49 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.8 -33.08 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -71.34 -31.94 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -72.65 -42.13 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.8 mt -65.13 -36.08 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.26 -36.81 80.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.82 -40.25 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.98 -50.79 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.99 -37.11 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -70.19 -31.01 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.5 m -80.54 -33.57 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 26.4 mttm -59.46 -56.69 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.18 -170.59 24.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.567 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -73.0 -28.43 62.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.309 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -30.51 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.98 -30.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 t -59.55 -37.24 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.01 -37.9 75.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.31 -46.98 63.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -60.13 -38.82 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.19 -31.23 62.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.05 -38.13 85.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.19 -36.37 81.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.2 mt -59.47 -30.7 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -52.11 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.45 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.91 -22.9 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.63 18.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.349 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.19 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.93 -35.56 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -78.52 162.12 26.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 -39.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.07 113.11 19.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 48.7 ttm-85 179.22 -58.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 30.9 Cg_endo -63.26 -27.17 72.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.264 1.976 . . . . 0.0 112.361 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -71.71 -49.77 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.44 -44.26 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.51 -30.05 68.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.03 -66.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.57 -34.6 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.01 61.91 1.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.6 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.707 0.289 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.13 -23.01 34.12 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.617 2.211 . . . . 0.0 112.443 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -93.07 -36.24 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.7 mt -73.73 -30.44 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.252 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -70.23 -31.44 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.0 -31.02 69.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.84 -42.25 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -73.43 -51.63 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.54 74.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -115.03 39.53 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -60.59 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -31.03 68.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.8 tp -71.59 -35.88 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.7 -31.93 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.57 -29.24 46.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -94.79 -44.15 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.4 m-70 -59.67 -54.49 45.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.1 mt -70.29 131.73 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.048 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -120.47 -42.53 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.13 87.22 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.7 p -73.39 -34.75 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -64.51 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.62 -52.08 54.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.15 -41.43 92.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.8 t -70.63 -33.04 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.3 -51.03 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.56 -31.32 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.9 mt -77.21 -36.58 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -68.86 -35.77 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.54 0.26 43.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.431 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.69 56.1 0.94 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.985 0.421 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -116.13 -43.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.741 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.41 144.44 29.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -102.81 164.44 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.7 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.97 -28.71 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -81.82 -50.89 8.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.96 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.79 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.8 mt -73.17 -41.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.82 -56.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.74 -29.61 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.58 -23.54 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.317 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.8 m -54.98 146.41 38.52 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.14 -44.3 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.575 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.5 p -113.03 -176.8 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.3 OUTLIER -78.98 -52.91 1.18 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -50.55 -28.29 21.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.431 2.088 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -34.94 60.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -63.69 -49.18 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.98 -34.94 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -31.18 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -70.49 -37.99 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 44.0 mt -64.57 -41.83 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.68 -45.45 93.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -71.51 -53.82 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.03 -46.55 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -59.9 -30.85 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -80.15 -33.61 38.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -60.21 -67.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.81 -178.17 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.81 -36.15 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.84 -30.97 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -59.56 -30.98 69.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -76.63 -48.84 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.407 ' CE2' HD11 ' A' ' 80' ' ' LEU . 69.1 t80 -61.25 -43.3 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -59.11 -40.13 84.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.99 -30.47 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.12 -31.39 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.407 HD11 ' CE2' ' A' ' 76' ' ' PHE . 5.3 mt -66.88 -34.87 78.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.47 -31.1 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -39.05 62.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -73.34 -53.05 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.34 -19.46 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.31 -26.71 7.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.541 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -30.48 64.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -111.27 34.31 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.421 ' CD2' HD11 ' A' ' 91' ' ' LEU . 8.8 m-85 -131.11 157.36 43.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.7 t -115.8 -52.39 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.43 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD11 ' CD2' ' A' ' 88' ' ' TYR . 12.8 mt -84.55 113.7 21.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.427 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.1 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 19.1 Cg_exo -65.96 -34.37 38.86 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.519 2.146 . . . . 0.0 112.122 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -59.21 -50.42 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.84 -36.69 70.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.97 -30.28 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.43 -52.03 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.3 pt -73.36 -30.08 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.72 49.63 17.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.334 . . . . 0.0 110.894 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.3 m80 . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.584 0.23 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.61 -24.7 9.82 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.597 2.198 . . . . 0.0 112.678 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -86.82 -49.97 7.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 mt -72.25 -45.41 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -30.56 60.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.055 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.96 -39.69 94.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.792 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.93 -44.98 75.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -58.94 -31.05 68.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -87.31 -41.35 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -102.8 36.05 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -56.64 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.94 -31.98 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.07 -44.62 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.02 -31.28 69.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.2 -32.93 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -81.89 -30.05 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -82.52 -52.84 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.9 mt -69.58 136.68 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.16 -37.52 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -105.16 117.16 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 p -95.16 -32.65 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -29.82 70.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -40.38 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.79 -43.4 54.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.0 t -63.15 -34.65 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.71 -50.29 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.44 -44.61 86.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD13 ' CE1' ' A' ' 41' ' ' PHE . 18.1 mt -60.25 -43.58 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.86 -45.35 94.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -62.88 -34.74 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.74 0.08 45.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.411 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.41 46.45 3.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.935 0.398 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -106.64 -43.23 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.0 m-85 -93.86 135.04 35.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -30.66 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.62 -32.32 36.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.3 -35.49 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.33 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.68 -29.34 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.5 mt -68.4 -40.02 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.46 -51.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.38 -26.22 68.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.9 49.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.393 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.53 141.37 83.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.37 -36.01 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.487 2.125 . . . . 0.0 112.418 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.7 p -118.52 171.84 7.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -67.54 -52.68 26.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.36 -33.59 37.8 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.64 -31.21 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -71.16 -37.28 72.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.47 -32.51 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -77.24 -30.56 54.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.01 -43.63 57.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.54 -45.54 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.53 -39.62 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.54 -33.98 75.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.9 mt -71.07 -47.65 57.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.33 -40.71 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.03 -31.36 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -73.68 -33.59 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -65.97 -60.72 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 154.57 -158.57 28.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 -27.63 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.03 -47.39 81.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.73 -30.41 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -61.21 -47.62 85.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.52 -40.0 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -68.03 -45.01 75.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.71 -40.43 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.8 mt -75.05 -30.54 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.84 -41.45 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.55 -35.17 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.58 -30.93 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.66 -39.33 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -31.34 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.33 -10.14 45.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.353 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.7 20.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.686 0.279 . . . . 0.0 111.332 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -30.56 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.76 32.07 5.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -132.79 162.4 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.58 36.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -144.94 -43.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.086 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.79 27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.406 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -74.79 -61.14 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.969 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 58.2 Cg_endo -71.86 -24.96 20.54 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 112.474 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -58.2 -30.44 66.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.8 mt -80.36 -34.1 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.78 -31.34 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.52 -67.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 98' ' ' ILE . 31.3 pt -59.74 -36.48 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.77 66.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.96 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.9 m80 . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.66 0.267 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.72 -13.32 11.91 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.516 2.144 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -110.44 -45.26 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.8 mt -68.12 -45.92 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.341 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -59.03 -29.9 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.99 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.18 -47.4 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -58.36 -53.51 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -49.34 76.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -97.64 45.05 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -59.53 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.59 -30.78 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.98 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 tp -73.13 -30.88 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.8 mt -80.68 -30.8 36.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.9 t -68.73 -30.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -83.66 -33.45 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -76.7 -57.29 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.38 120.52 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.11 -45.78 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.5 123.55 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -101.67 -33.19 9.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -56.54 -28.76 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.74 -43.8 75.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD21 ' CE1' ' A' ' 77' ' ' PHE . 11.1 mt -67.14 -42.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.67 -33.04 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -46.25 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -69.6 -37.74 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 41' ' ' PHE . 37.6 mt -67.72 -31.37 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -73.32 -37.46 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -37.63 87.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.63 0.02 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.456 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 61.57 59.1 1.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.88 -44.83 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.3 m-85 -86.89 122.86 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.82 161.28 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.26 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.77 -38.8 37.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.26 -34.06 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.74 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -35.5 76.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.4 mt -66.97 -36.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.4 t -63.27 -57.03 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.84 -29.12 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.33 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.9 m -56.31 141.76 69.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.4 -40.81 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.493 2.129 . . . . 0.0 112.419 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.5 p -110.95 169.36 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.6 tp60 -70.49 -52.54 11.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.51 -30.71 28.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.49 2.126 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.17 -34.78 68.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -65.48 -46.11 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.35 -49.67 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -63.28 -29.18 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -68.96 -46.04 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.6 mt -63.04 -46.66 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 mt -56.47 -41.49 76.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.0 -30.86 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -73.16 -50.89 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.9 t -57.94 -30.38 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.03 -34.75 78.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.5 t -78.5 -32.96 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HE3' ' CD1' ' A' ' 41' ' ' PHE . 60.3 mttm -61.92 -36.37 81.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.93 16.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.54 -26.64 63.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.66 -30.53 61.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.21 -30.92 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -61.86 -38.29 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.16 -43.39 95.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -72.4 -41.84 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 31' ' ' LEU . 53.5 t80 -60.1 -30.59 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mt -82.95 -30.24 28.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.89 -43.22 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.57 -35.03 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.01 -22.14 64.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -50.91 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.108 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -67.29 -48.26 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.9 -28.08 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.77 -28.48 22.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.438 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -60.25 -29.6 68.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.17 -34.57 11.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -71.68 161.41 31.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 t -124.51 30.23 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.74 -45.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.05 131.69 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.62 -58.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.11 -26.18 9.45 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 112.44 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -63.9 -44.8 91.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.07 -33.37 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.32 -31.72 67.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.19 -35.12 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.9 pt -81.66 -30.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.44 52.55 4.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.418 ' CG ' HD12 ' A' ' 11' ' ' ILE . 35.5 m170 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.17 -32.06 38.64 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.61 2.207 . . . . 0.0 112.455 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -81.14 -47.65 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.981 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.418 HD12 ' CG ' ' A' ' 8' ' ' HIS . 43.2 mt -65.7 -33.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -31.69 72.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.773 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.64 -30.48 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.21 -42.29 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -64.07 -49.75 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -35.47 77.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -117.59 57.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -86.53 -43.14 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.31 -31.19 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.404 HD22 ' CZ3' ' A' ' 94' ' ' TRP . 13.2 mt -64.09 -32.95 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.8 t -64.54 -30.91 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -31.4 24.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -76.32 -45.56 31.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.38 136.11 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -39.81 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -111.69 134.27 53.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -106.84 -28.46 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -57.31 -30.86 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.01 -50.49 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 77' ' ' PHE . 7.7 mt -61.73 -45.23 94.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.7 t -62.24 -40.87 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -49.35 77.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.9 -40.06 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.85 -31.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 mt -76.77 -38.23 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -65.52 -35.75 81.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -82.52 0.08 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t0 63.7 52.81 2.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -117.15 -41.33 3.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.66 130.13 44.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -85.08 166.35 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.59 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.95 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.5 -51.06 71.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.62 -39.88 84.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.6 mt -69.18 -38.15 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.39 -54.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -28.74 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.88 -23.85 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.282 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -55.58 149.96 27.54 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.59 -36.24 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.63 2.22 . . . . 0.0 112.448 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 p -130.55 -177.31 4.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -71.88 -53.24 7.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.6 Cg_exo -48.72 -29.93 15.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.53 2.154 . . . . 0.0 112.442 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.89 -31.74 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.59 -47.4 66.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.93 -29.8 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -30.62 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -71.54 -35.86 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.3 mt -67.69 -38.49 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.05 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.88 -44.52 95.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.33 -34.66 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 mt -68.67 -50.61 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.28 -41.9 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.44 -31.47 71.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -76.79 -31.4 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -65.75 -75.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.61 -167.86 37.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.18 -29.34 62.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -30.71 65.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.93 -30.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 t -61.18 -45.74 93.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -64.97 -42.15 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -65.53 -43.45 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 31' ' ' LEU . 59.5 t80 -64.87 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.1 mt -83.52 -30.88 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.49 -41.99 88.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.43 -30.33 70.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.9 mt -59.88 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -80.98 -47.74 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -68.94 -40.32 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.79 -23.81 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.91 -28.13 15.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.377 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.16 31.42 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -127.27 174.95 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.99 32.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.84 -50.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.4 mt -68.12 108.48 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.424 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 32.9 Cg_exo -61.24 -32.2 90.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.491 2.127 . . . . 0.0 112.212 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.404 ' CZ3' HD22 ' A' ' 21' ' ' LEU . 30.0 t90 -72.55 -40.89 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.7 mt -58.37 -48.73 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -30.93 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.68 -47.88 57.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.2 pt -76.69 -33.81 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.74 73.38 0.83 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.957 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.5 m80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.55 0.214 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.55 -18.44 48.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.397 2.064 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -98.95 -40.71 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mt -73.49 -40.51 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -31.63 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.17 -30.9 69.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.7 mt -81.26 -47.09 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -64.28 -51.98 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -53.29 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -95.36 43.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -76.7 -60.1 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.62 -31.15 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.11 -45.3 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.25 -31.51 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.81 -30.87 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -86.78 -37.33 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -67.99 -58.41 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.89 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -35.14 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.42 141.67 41.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 p -113.4 -34.59 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -30.0 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.6 -41.32 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.19 -46.66 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.33 -39.62 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.49 -52.12 65.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -64.78 -45.76 84.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' CE1' ' A' ' 41' ' ' PHE . 6.8 mt -60.16 -31.05 69.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.16 -35.55 55.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -34.08 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -82.62 0.13 44.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.371 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t0 64.33 35.22 9.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -94.15 -50.42 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 3.3 m-85 -83.91 125.09 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -67.55 166.07 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -31.21 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.51 -37.94 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.18 -36.09 76.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.59 -29.31 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.9 mt -71.24 -30.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -71.14 -52.67 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.52 -25.06 64.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.997 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.24 -28.74 55.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -59.26 138.22 88.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.39 -41.1 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.509 2.139 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.0 p -111.2 175.94 5.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.41 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.3 tp60 -75.03 -52.68 3.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.7 Cg_exo -50.36 -27.48 18.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.535 2.157 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -34.33 54.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -63.54 -34.15 77.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 t -63.24 -45.93 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -66.19 -29.67 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -73.19 -47.33 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.9 mt -60.09 -41.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 mt -62.12 -45.35 93.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.33 -42.3 98.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.34 -43.65 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.69 -30.78 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.78 -32.56 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -33.3 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 54.7 mttm -63.57 -48.3 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.19 176.17 14.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.97 -27.59 69.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -29.9 61.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.14 -30.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -60.67 -39.77 89.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.44 -43.47 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.17 -40.62 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -62.32 -53.22 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.77 -30.94 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.59 -37.18 84.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.81 -36.73 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.26 -31.08 69.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -44.91 50.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -72.11 -20.93 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.189 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.27 -24.99 12.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.348 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.65 -29.73 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.17 -47.63 7.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.407 ' CG ' HD12 ' A' ' 91' ' ' LEU . 77.4 m-85 -60.7 146.83 44.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.4 m -102.22 -37.61 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.24 -33.72 63.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD12 ' CG ' ' A' ' 88' ' ' TYR . 15.4 mt -83.7 104.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.442 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.5 ttp85 -177.81 -53.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 29.3 Cg_exo -61.7 -37.54 67.54 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.499 2.133 . . . . 0.0 112.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -62.12 -51.23 68.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.42 -52.74 62.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.26 -29.7 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -62.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 pt -58.89 -25.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.66 63.37 4.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.896 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.4 m80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.632 0.253 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.66 -19.73 47.5 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.462 2.108 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -97.01 -39.98 9.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.1 mt -76.77 -33.83 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.98 -30.11 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.0 mt -58.65 -31.6 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.18 -45.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.37 -35.05 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -39.6 38.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -107.05 36.77 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 ttm105 -61.07 -52.41 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.4 -31.89 65.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.56 -31.11 65.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.98 -30.58 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 t -73.59 -38.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -86.09 -58.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.5 mt -66.46 126.66 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.61 -36.81 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 116.2 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -102.04 -29.23 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -57.26 -43.59 83.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -42.07 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -37.62 79.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.5 t -74.25 -35.03 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.01 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.45 -40.86 93.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.86 -31.62 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.802 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.3 mt -75.34 -41.4 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -33.58 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.411 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 2.7 m-80 -78.16 -4.55 48.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.392 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.26 37.17 2.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -100.56 -48.78 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.808 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -93.37 130.65 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 m -84.92 167.68 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.03 -31.71 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.18 -53.18 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.39 -29.22 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -30.21 70.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.04 -38.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.97 -50.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.81 -27.85 69.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.378 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.0 m -55.25 151.15 19.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.043 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.6 -44.71 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.467 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.6 p -116.78 -177.68 3.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.99 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 56' ' ' PRO . 1.1 mp0 -75.35 -53.73 2.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 55' ' ' GLN . 65.0 Cg_exo -51.26 -27.87 24.56 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.493 2.129 . . . . 0.0 112.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -31.79 58.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -67.55 -35.32 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.3 t -61.0 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -29.66 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -72.75 -41.32 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.4 HG22 ' CZ ' ' A' ' 77' ' ' PHE . 7.7 mt -63.84 -41.06 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 mt -58.98 -45.46 90.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.36 -39.82 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.98 -56.49 14.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.8 t -59.41 -32.43 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -31.31 40.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -64.76 -70.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.18 -170.24 30.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -64.36 -25.42 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -60.6 3.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.18 -33.38 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -59.99 -30.78 69.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -73.94 -53.72 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.04 -39.64 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.4 ' CZ ' HG22 ' A' ' 62' ' ' ILE . 28.3 t80 -59.67 -50.8 72.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.96 -30.89 68.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -60.3 -42.84 96.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.67 -36.53 76.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.6 mt -59.46 -26.74 65.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -83.08 -45.2 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -39.62 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.01 -21.09 43.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.89 -25.99 9.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.415 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.51 -29.66 62.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -113.99 37.65 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -129.31 152.4 48.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 m -111.06 -30.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.17 -39.18 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 mt -99.93 125.82 45.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.409 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 1.1 mtt180 -179.79 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 68.7 Cg_endo -74.18 -25.03 14.08 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.554 2.169 . . . . 0.0 112.463 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -57.47 -51.74 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.77 -30.59 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.26 -30.19 48.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -40.1 40.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.0 pt -75.34 -37.67 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.11 66.52 1.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.869 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.8 m80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.557 0.218 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.63 -16.18 46.23 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.419 2.079 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -95.23 -42.29 8.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.82 0.343 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mt -74.46 -32.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -31.04 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.4 -31.53 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -80.56 -47.38 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -59.41 -44.0 92.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -70.93 -52.97 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -93.18 48.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -79.06 -53.58 6.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.53 -30.92 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.67 -42.95 73.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.4 mt -62.06 -32.46 72.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.7 t -66.35 -28.85 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -36.27 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -73.59 -52.7 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.0 mt -71.76 136.72 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -115.12 -38.43 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -100.19 135.51 41.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 p -114.29 -34.1 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.38 -30.73 65.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.46 -32.65 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -79.73 -31.93 41.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.82 -31.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -54.15 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.38 -45.61 92.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.409 HD11 ' CE1' ' A' ' 41' ' ' PHE . 81.4 mt -59.82 -30.89 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.31 -42.15 55.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -29.81 68.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.0 0.1 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.44 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 67.38 32.61 5.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.47 -44.09 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.409 ' CE1' HD11 ' A' ' 35' ' ' LEU . 2.7 m-85 -94.92 168.05 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -133.42 170.14 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.18 -33.56 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.6 -46.75 71.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.4 -36.32 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.61 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -29.96 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.5 mt -74.94 -43.62 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.39 -57.58 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -59.97 -29.68 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.4 -22.61 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.376 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.1 m -55.31 144.74 50.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.02 -37.53 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.8 p -123.36 -177.01 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 2.3 tp60 -76.6 -52.36 2.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.2 Cg_exo -50.24 -27.95 19.01 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.565 2.177 . . . . 0.0 112.363 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -36.06 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -64.27 -44.86 90.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -59.47 -31.0 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -28.75 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -78.3 -42.22 31.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.3 mt -59.16 -29.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.23 -40.71 58.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -31.18 71.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.3 mt -72.94 -52.87 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.8 t -60.48 -30.56 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -72.28 -31.12 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -31.37 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -66.42 -70.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.12 -165.77 31.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.561 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.73 -28.0 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.715 0.293 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.13 -29.96 61.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 t -106.06 -30.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -57.93 -36.24 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.84 -46.64 43.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CE2' HD12 ' A' ' 80' ' ' LEU . 51.0 t80 -63.45 -39.74 95.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.06 -37.47 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -77.99 -31.21 50.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.46 -35.94 78.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.421 HD12 ' CE2' ' A' ' 76' ' ' PHE . 50.5 mt -60.35 -42.27 95.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.86 -30.02 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -50.78 29.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -69.07 -48.32 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.93 -13.13 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.345 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.44 -27.79 26.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -30.57 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.27 34.65 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.55 145.41 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.75 -52.33 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.19 -31.29 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.5 mt -95.19 125.16 39.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 6.3 mtt180 -179.77 -60.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 69.7 Cg_endo -74.61 -26.59 11.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.559 2.173 . . . . 0.0 112.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.8 t90 -59.24 -36.58 75.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.52 -31.42 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 mt -80.2 -31.08 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -74.05 -41.07 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.2 pt -69.98 -32.55 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.59 54.99 2.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.419 ' CG ' HD13 ' A' ' 11' ' ' ILE . 67.7 m80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.584 0.23 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.93 -22.28 73.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.561 2.174 . . . . 0.0 112.479 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -94.18 -51.53 4.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.419 HD13 ' CG ' ' A' ' 8' ' ' HIS . 33.8 mt -64.36 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -76.48 -33.79 58.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 mt -60.2 -32.33 70.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.62 -49.13 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -59.83 -56.06 26.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.21 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -102.67 51.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -81.03 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -59.98 -31.17 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.25 -35.95 80.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.32 -34.72 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.46 -29.19 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 m -81.42 -30.16 33.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -88.2 -56.58 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.07 153.51 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.044 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.6 -47.22 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -89.8 124.73 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.0 p -110.8 -29.63 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -30.37 64.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.011 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.28 -36.82 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.5 -38.92 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.94 -35.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.77 29.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -64.0 -32.91 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 41' ' ' PHE . 20.9 mt -72.4 -33.28 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.31 -32.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -75.76 -31.32 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 4.6 m-80 -82.34 0.02 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.367 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t0 66.49 31.81 7.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 18.5 m-85 -98.28 -32.8 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 35' ' ' LEU . 3.7 m-85 -113.99 151.92 31.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -118.14 169.03 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.44 69.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.35 -51.49 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -63.95 -46.81 83.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.75 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -72.89 -41.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.44 -55.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.77 -29.22 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.0 49.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.381 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.2 m -55.08 148.03 31.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.87 -36.11 2.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.628 2.219 . . . . 0.0 112.367 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.4 p -124.7 -177.11 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.1 tp60 -75.6 -52.15 2.93 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.2 Cg_exo -49.94 -28.97 19.86 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.6 2.2 . . . . 0.0 112.382 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.31 -30.9 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -70.09 -39.36 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.56 -42.75 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -39.82 89.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -61.0 -43.21 99.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.3 mt -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.983 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.18 -45.31 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.3 -36.93 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.25 -51.77 48.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.4 -41.22 83.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -62.57 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -33.18 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -66.35 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.78 -169.3 29.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.549 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.8 -26.69 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -56.13 -33.84 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.74 -32.23 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -60.11 -37.62 80.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -63.66 -50.16 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.59 -42.48 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -60.84 -42.97 98.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.49 -30.15 62.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.3 -40.45 97.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 mt -63.93 -32.64 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.9 mt -60.18 -30.37 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -41.52 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -76.76 -31.0 56.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.9 -18.0 31.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.02 -29.19 28.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.308 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.87 -41.44 62.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -30.81 69.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -81.15 153.2 27.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.13 29.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.6 -48.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.4 mt -70.51 116.38 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.444 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.4 ttt180 -177.56 -53.23 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.444 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.5 Cg_exo -62.59 -29.4 78.03 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.443 2.096 . . . . 0.0 112.215 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -73.67 -64.48 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.09 -32.4 61.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.09 -29.88 62.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.31 -53.28 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 pt -59.37 -29.89 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.9 53.18 9.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.2 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.409 ' CG ' HD13 ' A' ' 11' ' ' ILE . 29.4 m170 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.638 0.256 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.41 -22.04 39.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.583 2.189 . . . . 0.0 112.431 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -93.52 -37.76 11.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.004 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.409 HD13 ' CG ' ' A' ' 8' ' ' HIS . 27.9 mt -73.36 -32.38 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -39.19 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.22 -31.5 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 mt -73.98 -45.01 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -70.89 -52.56 19.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -60.35 -36.47 78.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -115.22 40.33 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -73.87 -53.84 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -33.6 72.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 19.1 tp -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.81 -31.26 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.2 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 m -88.61 -35.7 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.414 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.5 m-70 -74.21 -51.49 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 25' ' ' ILE . 46.5 mt -70.76 133.94 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.078 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.01 -49.76 2.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -95.61 122.05 37.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -96.4 -27.66 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -56.16 -36.88 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.71 -52.16 66.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.1 -31.5 72.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 t -75.95 -39.23 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.22 -48.71 77.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -65.52 -45.16 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.6 mt -59.9 -40.14 87.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -68.75 -41.91 78.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -60.47 -34.08 73.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.88 0.23 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.401 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.89 37.89 11.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -96.38 -50.54 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.406 ' CZ ' HG21 ' A' ' 62' ' ' ILE . 2.4 m-85 -87.26 119.91 27.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 m -67.72 178.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -37.1 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -45.26 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.94 -48.34 78.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.49 67.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.261 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -39.86 68.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.87 -41.42 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.12 -59.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.67 -28.17 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.32 -22.47 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.8 m -55.15 156.08 7.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.54 -40.01 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.635 2.223 . . . . 0.0 112.467 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.2 p -128.29 -177.44 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.016 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.55 -53.29 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 76.5 Cg_exo -49.64 -26.83 13.6 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.473 2.115 . . . . 0.0 112.435 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.02 -34.12 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -67.31 -34.78 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.29 -50.35 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -32.18 73.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -65.32 -45.31 84.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.406 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 8.0 mt -63.25 -43.75 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.13 -37.88 81.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.08 -40.28 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.48 -55.2 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.8 t -57.46 -36.18 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.84 -29.66 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 t -85.63 -32.89 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.69 -168.13 36.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.576 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -76.26 -28.0 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.38 -36.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.9 t -60.16 -39.86 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.2 -44.98 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 80' ' ' LEU . 71.1 t80 -66.82 -34.88 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -66.33 -49.06 68.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -31.03 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.3 -36.38 83.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 76' ' ' PHE . 9.7 mt -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.25 -27.05 63.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -80.81 -40.36 25.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -44.25 56.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.32 -18.86 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.26 -26.94 8.01 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.79 0.328 . . . . 0.0 111.427 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.37 -30.96 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -46.46 8.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.96 139.1 58.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.32 30.17 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 -57.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.42 114.62 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.492 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 3.7 ttt180 -168.28 -56.21 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 24.1 Cg_exo -63.34 -31.41 73.14 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.391 2.06 . . . . 0.0 111.959 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -72.57 -43.85 62.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.4 mt -58.96 -47.28 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.23 -31.43 69.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.44 -54.17 47.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.6 pt -75.89 -33.94 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.36 91.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.6 m80 . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.687 0.279 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.46 -22.94 17.61 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.629 2.219 . . . . 0.0 112.713 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -93.7 -42.59 9.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.288 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.4 mt -70.87 -41.6 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.31 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -31.56 66.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.15 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.2 mt -81.16 -42.72 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -66.23 -53.62 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -44.86 95.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -101.08 36.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -40.62 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -72.81 -32.79 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.48 -31.33 62.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.02 -31.26 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.0 t -76.49 -29.6 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -30.38 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -90.16 -58.33 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.5 mt -61.18 115.4 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -40.3 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -96.03 129.68 43.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -107.31 -30.11 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.007 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.38 -30.5 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -41.41 93.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.82 -44.65 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.77 -40.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.019 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.46 -55.93 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -59.65 -44.53 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.91 -30.73 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -66.47 -39.85 89.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.48 0.12 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.424 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.37 37.44 6.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -92.27 -34.23 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CD1' ' HE3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -108.38 123.52 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 m -77.42 167.13 22.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.52 72.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.44 -34.92 61.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -68.4 -46.95 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -29.54 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.241 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.39 -38.04 86.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.7 mt -66.74 -42.59 89.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.09 -55.18 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -30.21 68.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.4 -23.31 56.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.5 m -55.2 144.24 51.26 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.77 -43.26 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.532 2.154 . . . . 0.0 112.381 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.1 p -109.28 173.21 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.01 -52.91 5.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 66.4 Cg_exo -50.88 -28.47 23.77 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.157 . . . . 0.0 112.325 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.28 -32.61 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -67.39 -41.0 85.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.2 t -62.25 -42.43 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -66.31 -30.33 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppm? -73.35 -43.71 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.2 -40.16 95.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.44 -46.44 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.63 -36.14 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.04 -32.96 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 m -78.95 -32.01 45.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HE3' ' CD1' ' A' ' 41' ' ' PHE . 51.5 mttm -60.27 -70.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.47 -177.8 36.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.615 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.15 -28.88 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -47.29 84.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.7 t -78.48 -30.29 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -61.96 -33.63 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -73.49 -46.94 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 80' ' ' LEU . 71.4 t80 -61.21 -39.63 90.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -63.83 -38.85 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.419 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -75.95 -29.95 58.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.52 -44.49 94.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 76' ' ' PHE . 11.6 mt -60.04 -33.33 71.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.73 -28.94 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -56.78 3.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -58.48 -30.67 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.47 -11.99 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.87 -27.12 4.73 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.786 0.327 . . . . 0.0 111.527 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -29.01 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.12 54.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -85.89 -51.1 6.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.9 t 65.62 15.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.273 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.42 -28.9 6.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 111.061 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.41 26.19 4.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -82.55 -52.54 0.68 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.734 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 92' ' ' ARG . 53.0 Cg_exo -54.58 -29.97 63.09 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.492 2.128 . . . . 0.0 112.062 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -71.32 -36.33 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.818 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.6 mt -66.83 -51.48 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.81 -31.37 70.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -66.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 39.4 pt -65.2 -30.86 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.52 63.74 1.99 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 15.8 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.5 m80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.77 -25.76 21.79 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.605 2.203 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -82.72 -45.75 14.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.3 mt -73.09 -34.64 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.4 mt -60.06 -41.13 91.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.71 -47.06 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -63.22 -35.89 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -76.44 -46.99 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -97.54 38.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -74.16 -48.2 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -64.24 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 tp -80.24 -33.28 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.16 -32.31 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.35 -29.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -84.43 -50.65 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.048 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -62.3 -57.18 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.8 mt -62.33 133.31 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -121.31 -54.65 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -93.01 125.15 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.6 p -102.03 -25.65 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -55.74 -35.67 66.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -50.01 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.78 -31.5 72.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.0 t -76.58 -39.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.96 -31.45 69.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.4 -42.49 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -32.85 73.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.1 m-80 -83.3 0.06 47.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.392 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.95 38.36 6.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 11.1 m-85 -99.17 -60.2 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -75.96 126.05 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -70.84 168.2 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.47 80.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -71.14 -38.01 72.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -59.06 -45.18 91.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.56 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.41 -31.48 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 mt -72.21 -36.09 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.4 t -71.13 -40.62 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.7 m -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.02 -24.72 40.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.393 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.57 146.98 52.75 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.94 -41.8 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.592 2.195 . . . . 0.0 112.381 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.1 p -118.39 -177.41 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -74.68 -53.13 3.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 75.3 Cg_exo -49.53 -35.89 38.32 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.59 2.194 . . . . 0.0 112.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -34.19 77.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -61.34 -50.34 73.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 t -54.05 -30.63 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -31.27 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.1 -45.45 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.5 mt -55.16 -39.55 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.52 -41.0 93.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.25 -59.05 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.0 t -59.94 -40.08 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.06 -34.28 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -32.95 56.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -60.49 -75.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.49 -162.93 34.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.29 -28.71 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.74 -30.47 65.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.67 -32.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -63.54 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -77.25 -49.43 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.6 -43.22 93.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -59.67 -52.21 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.86 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.53 -38.13 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.15 -35.13 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -50.19 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.64 -12.42 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.415 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.68 -29.62 27.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 111.326 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.84 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.412 ' CD2' HD13 ' A' ' 91' ' ' LEU . 30.4 m-85 -78.68 155.82 29.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.02 -37.4 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.48 -58.74 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 88' ' ' TYR . 4.6 mt -69.83 115.35 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.439 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.7 mmm-85 -177.28 -53.06 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.439 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 17.8 Cg_exo -66.29 -32.0 42.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 0.0 112.083 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -59.27 -45.78 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.08 -49.5 71.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.5 -29.62 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.25 -52.25 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -73.37 -37.68 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.46 77.17 1.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.981 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -130.52 165.38 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.48 154.73 27.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.34 -166.62 21.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -107.88 -177.28 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.96 170.09 8.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.21 -101.96 0.64 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.4 m80 60.57 77.72 0.36 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -24.01 39.98 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.59 2.193 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -91.3 -42.6 10.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.209 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.8 mt -70.58 -37.98 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.36 -34.99 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.37 -31.51 72.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.58 -41.05 47.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -71.42 -45.59 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -100.83 31.41 3.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -67.06 -30.79 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.54 -30.19 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.5 -37.02 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.29 -32.07 73.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.7 t -73.65 -24.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -92.32 -29.25 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -86.93 -52.47 5.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.031 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.5 mt -66.78 142.4 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -130.93 -46.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.05 114.56 20.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 p -105.82 -33.83 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -38.37 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.6 -41.13 98.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' A' ' 77' ' ' PHE . 10.2 mt -63.18 -31.79 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.44 -40.24 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -60.32 -37.32 80.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -77.43 -35.29 54.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 41' ' ' PHE . 26.7 mt -74.88 -31.66 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.1 mt -67.23 -41.88 84.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -71.77 -30.99 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -82.57 0.07 44.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.329 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 65.02 52.99 1.44 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -119.5 -42.03 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' A' ' 35' ' ' LEU . 5.0 m-85 -107.6 123.13 48.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -82.44 172.47 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.96 73.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -73.14 -52.43 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.49 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.197 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.94 -31.11 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mt -75.15 -41.47 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.2 t -61.06 -57.25 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.02 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.99 -30.7 69.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.29 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 m -54.7 150.54 17.79 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.013 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.32 -36.17 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.624 2.216 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.5 p -135.21 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -70.25 -52.34 12.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -48.93 -27.02 10.89 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.458 2.105 . . . . 0.0 112.301 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.42 -35.08 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.09 -47.01 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -33.63 76.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -67.92 -45.87 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.7 mt -62.96 -43.05 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.6 mt -58.86 -42.94 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.1 -34.48 78.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.8 mt -68.07 -52.46 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.7 t -56.67 -39.6 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.76 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -34.67 64.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 19.2 mttm -65.84 -65.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.23 -169.94 30.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.61 -26.42 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.324 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.45 -47.41 79.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.4 t -85.62 -33.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -60.64 -34.2 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.35 -38.01 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 80' ' ' LEU . 67.8 t80 -75.94 -42.84 47.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.421 ' CE1' HD22 ' A' ' 31' ' ' LEU . 61.0 t80 -60.84 -42.46 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -30.46 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.54 -41.22 93.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 76' ' ' PHE . 10.3 mt -59.38 -30.21 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.0 mt -65.45 -28.69 69.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -82.87 -59.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.054 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.9 mt -91.32 -22.27 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.1 -28.31 4.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -29.49 67.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.69 39.19 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.409 ' CD2' HD12 ' A' ' 91' ' ' LEU . 3.7 m-85 -130.0 172.06 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.4 m -124.7 -44.81 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.8 -31.38 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 88' ' ' TYR . 32.3 mt -96.2 117.57 31.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.36 -61.42 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 40.8 Cg_endo -67.11 -26.37 42.86 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.401 2.067 . . . . 0.0 112.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -65.82 -52.79 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.19 -33.83 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.6 mt -69.26 -29.37 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.35 -48.56 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.6 pt -74.39 -34.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.68 89.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -85.76 -53.29 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 t -86.2 163.42 17.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 m -157.55 158.92 36.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.35 147.16 5.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.48 -174.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.566 2.177 . . . . 0.0 112.249 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 m -134.59 31.3 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.9 m -94.16 -179.87 5.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.513 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -114.73 -41.06 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -110.33 -63.37 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.54 105.34 1.13 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p 58.77 174.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.9 155.47 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.47 122.87 5.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.418 ' CD2' ' HG3' ' A' ' 71' ' ' GLU . 26.3 m80 -97.21 109.15 48.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.488 0.185 . . . . 0.0 110.792 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.21 -23.18 22.11 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.483 2.122 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -89.18 -42.12 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.0 mt -75.59 -41.29 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.17 -37.86 75.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.4 -31.13 71.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.4 mt -80.4 -39.94 27.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -68.76 -33.35 73.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -81.67 -45.37 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.53 45.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -50.95 10.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.49 -30.23 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.38 -34.29 67.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.2 mt -72.82 -30.64 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.0 t -68.23 -30.0 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.244 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -86.23 -27.11 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -85.02 -48.98 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.1 mt -70.1 131.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -105.8 -54.24 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.48 129.24 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 p -112.26 -34.41 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -34.66 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.93 -44.78 96.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.0 -43.42 95.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.64 -33.47 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.58 -52.06 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -64.18 -37.09 86.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD11 ' CE1' ' A' ' 41' ' ' PHE . 42.4 mt -67.53 -31.45 71.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.63 -39.57 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -34.33 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -82.58 0.08 44.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.55 38.16 4.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -98.85 -43.56 6.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 35' ' ' LEU . 1.7 m-85 -93.26 168.06 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.34 170.62 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.04 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.32 -44.68 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -62.15 -49.44 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.02 -30.07 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.85 -33.68 76.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.09 -39.12 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.9 -63.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -58.36 -28.61 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.19 -23.7 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.354 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.2 m -55.41 148.74 31.47 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.575 2.183 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.8 p -122.07 178.17 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -76.35 -53.64 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.48 -27.85 19.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.538 2.159 . . . . 0.0 112.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -33.34 64.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -65.36 -34.22 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.01 -36.58 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.7 -30.99 64.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -73.31 -42.1 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.4 mt -66.52 -30.34 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.45 -43.77 59.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.98 -37.23 86.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.2 mt -70.13 -55.62 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.0 t -59.51 -31.59 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -74.96 -39.61 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -66.31 -34.04 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 31.8 mttm -60.75 -75.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.07 -163.4 36.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' CD2' ' A' ' 8' ' ' HIS . 6.0 mt-10 -74.42 -27.77 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -40.74 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.978 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.84 -30.82 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 t -60.71 -38.8 86.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -68.54 -46.28 69.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -60.56 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.33 -31.3 58.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.3 -38.63 90.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.72 -33.45 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -59.94 -31.02 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -80.12 -40.75 26.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -45.98 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mt -71.72 -19.75 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.13 -25.98 10.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.4 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.99 -50.48 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.18 -36.01 27.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -62.54 -177.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -145.15 -46.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -58.62 -29.9 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.9 mt -103.82 125.34 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 3.6 mtp180 179.9 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 48.6 Cg_endo -69.09 -26.69 30.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.403 2.069 . . . . 0.0 112.378 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.9 mt -69.36 -46.07 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.75 -30.83 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.37 -56.78 4.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -61.58 -33.07 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.63 73.53 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.425 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.61 122.08 43.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.1 m 59.98 40.28 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.7 t -107.34 110.2 22.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 160.59 -99.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.63 -25.27 15.05 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.545 2.164 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -57.41 130.59 46.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 t -94.64 152.57 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.486 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -147.8 78.37 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.19 113.05 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.73 168.99 25.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.529 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.44 125.07 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.25 103.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.34 -65.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.578 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.415 ' CG ' HD11 ' A' ' 11' ' ' ILE . 22.6 m80 60.13 77.47 0.38 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.694 0.283 . . . . 0.0 110.815 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 -23.84 19.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.513 2.142 . . . . 0.0 112.484 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -90.2 -43.92 10.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.415 HD11 ' CG ' ' A' ' 8' ' ' HIS . 27.6 mt -72.67 -36.23 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.07 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.5 mt -80.36 -45.17 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -60.11 -48.33 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -41.22 76.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -105.4 40.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -72.48 -59.42 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.49 -31.4 70.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.9 tp -66.87 -32.71 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.0 mt -78.46 -31.29 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.7 t -63.19 -30.16 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -93.4 -35.34 13.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.415 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.9 m-70 -69.67 -57.92 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.9 mt -73.84 123.22 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -33.49 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -98.87 110.8 23.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -98.54 -30.73 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -57.75 -38.86 76.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -38.64 82.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -50.24 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.23 -38.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.57 81.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -67.71 -42.46 81.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.13 -37.0 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.3 mt -71.6 -45.56 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -61.41 -37.75 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -82.46 0.15 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.406 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.19 61.01 0.93 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.001 0.429 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -119.35 -48.2 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -93.31 -177.92 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -134.08 167.18 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.13 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.172 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -67.89 -41.56 82.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -63.51 -51.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.76 71.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -41.19 92.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.1 mt -66.88 -37.46 79.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.54 -55.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.35 -23.13 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.5 m -54.76 147.81 29.72 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.85 -43.88 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.406 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.6 p -115.69 -176.75 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -77.36 -53.32 1.64 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 74.7 Cg_exo -50.44 -30.13 26.38 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.566 2.177 . . . . 0.0 112.362 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -35.32 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -64.3 -44.45 91.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.4 t -61.26 -30.84 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.31 -34.04 55.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -68.04 -39.26 83.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.05 -47.09 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.31 -37.19 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.74 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 mt -68.61 -55.03 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.49 -38.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -63.21 -30.15 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 m -87.25 -30.88 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -59.7 -49.5 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.73 176.44 18.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.517 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.36 -29.17 69.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.706 0.289 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.82 -56.97 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.8 t -66.4 -30.82 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.3 t -60.94 -47.88 84.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.99 -43.05 99.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CE2' HD13 ' A' ' 80' ' ' LEU . 58.9 t80 -65.08 -37.02 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -69.18 -31.65 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -85.91 -30.4 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -39.45 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' A' ' 76' ' ' PHE . 6.7 mt -68.09 -30.88 70.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.0 mt -59.27 -29.4 67.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -78.44 -45.93 21.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -49.32 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.8 mt -74.58 -15.49 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.58 -27.65 7.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.78 0.324 . . . . 0.0 111.406 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -31.95 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.91 -35.43 24.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -79.08 161.05 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.86 27.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.44 -38.7 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.033 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mt -96.37 31.31 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.34 -52.13 5.38 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 94.7 Cg_endo -80.35 -25.29 4.83 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.604 2.203 . . . . 0.0 112.384 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -57.36 -61.57 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.91 -34.42 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.38 -30.62 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.58 -68.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.3 pt -59.26 -29.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.45 91.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.566 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -83.66 -38.13 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.31 -174.61 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.12 121.14 27.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.78 94.88 0.56 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.508 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.27 -46.11 2.34 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.419 2.079 . . . . 0.0 112.361 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.1 31.19 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.2 t -134.0 87.3 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.512 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -72.12 137.79 47.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -99.48 -59.51 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.78 -173.99 47.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 p -152.95 152.4 31.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -132.97 144.52 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.12 101.61 2.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.564 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.41 ' CG ' HD13 ' A' ' 11' ' ' ILE . 75.2 m80 -67.99 114.2 19.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.453 0.168 . . . . 0.0 110.788 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.59 -27.14 32.99 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.404 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -83.31 -43.69 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.41 HD13 ' CG ' ' A' ' 8' ' ' HIS . 28.0 mt -73.36 -39.0 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.84 -30.59 69.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt -59.96 -31.46 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 mt -81.16 -42.7 20.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.9 mttt -61.53 -47.08 87.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -69.57 -38.19 77.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -107.99 38.41 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -71.02 -56.01 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.51 -30.7 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.05 -43.67 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.35 -31.86 69.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.86 -30.4 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 m -85.72 -37.38 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -71.79 -47.82 50.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.4 mt -75.57 120.79 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -104.81 -39.57 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -98.01 130.74 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 p -110.21 -31.81 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -31.67 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -65.49 -39.01 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.32 -43.99 65.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.0 t -68.03 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.44 -51.53 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -67.45 -44.22 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD12 ' CE1' ' A' ' 41' ' ' PHE . 35.9 mt -59.39 -31.99 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.25 -45.78 53.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -66.03 -33.65 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -82.01 0.13 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.42 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 62.96 44.67 5.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -107.69 -37.02 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 2.6 m-85 -105.36 133.95 49.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -77.28 163.82 26.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.33 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -37.98 81.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.33 -49.18 78.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.73 -30.44 64.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.5 mt -74.86 -32.14 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.95 -47.9 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -26.79 68.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -26.47 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.353 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.0 147.15 65.78 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.35 -37.36 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.593 2.195 . . . . 0.0 112.537 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.3 p -127.43 -177.77 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.52 -53.65 5.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 79.9 Cg_exo -47.81 -27.46 8.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.594 2.196 . . . . 0.0 112.347 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.52 -31.73 29.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -67.09 -44.55 79.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.36 -33.9 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -37.64 71.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -66.54 -35.74 80.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.0 mt -69.24 -46.51 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.62 -40.54 83.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.43 -36.7 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.6 -56.87 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.37 -31.93 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -68.15 -30.62 69.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -88.17 -29.85 20.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 18.2 mttm -57.89 -53.6 56.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.21 -160.89 27.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.565 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.7 -29.76 25.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.32 -31.35 67.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.9 t -99.33 -30.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 t -67.02 -36.8 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -73.42 -36.2 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.417 ' CD2' HD12 ' A' ' 80' ' ' LEU . 46.5 t80 -73.64 -40.97 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -61.27 -35.43 77.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.7 -30.85 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -40.14 79.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.417 HD12 ' CD2' ' A' ' 76' ' ' PHE . 5.9 mt -59.94 -39.22 84.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.9 mt -59.24 -29.63 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -44.43 62.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -74.69 -56.63 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.12 -19.32 61.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -50.2 -26.77 4.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.483 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.31 -28.96 57.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.89 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -72.8 154.76 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.53 -30.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.91 -44.44 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.42 121.39 26.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.26 -60.19 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.16 -27.39 11.78 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.576 2.184 . . . . 0.0 112.383 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -62.92 -59.0 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.52 -47.29 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -29.35 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -77.33 -49.08 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 pt -70.43 -25.99 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.46 77.11 0.3 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -64.87 99.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 68.59 -67.84 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.0 t -89.08 155.59 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.72 -64.39 0.61 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.526 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.06 -179.96 3.42 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.313 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 99.3 p -71.27 178.77 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.796 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -166.36 116.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.52 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -172.11 -55.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.811 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -145.63 -47.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.59 73.1 1.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.54 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 p -141.76 -47.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.46 145.71 24.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.75 67.33 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.426 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -118.03 101.43 51.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.58 -25.39 14.52 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.551 2.167 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -82.77 -54.71 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.432 HD13 HG22 ' A' ' 11' ' ' ILE . 34.7 mt -67.63 -32.37 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -31.58 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.7 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 mt -81.51 -44.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -63.14 -42.24 99.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.56 -41.06 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.15 37.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 ttm105 -72.54 -39.22 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.73 -31.26 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -41.71 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.4 mt -60.19 -36.38 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.1 t -63.33 -30.62 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -88.14 -30.92 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -77.2 -60.61 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.7 mt -71.6 155.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -143.17 -47.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.79 81.42 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.9 p -71.95 -28.27 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -56.56 -30.46 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.8 m -71.63 -45.7 61.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.3 mt -60.89 -43.76 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.77 -33.97 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -52.64 64.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 41' ' ' PHE . 24.4 mt -66.1 -36.97 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -67.74 -45.0 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 2.4 m-80 -82.25 -0.06 43.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.436 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 62.6 39.02 11.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.872 0.367 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 14.5 m-85 -98.84 -49.84 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.8 m-85 -83.44 129.03 34.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -71.28 159.28 34.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.23 -31.78 60.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -66.65 -44.82 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.85 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.23 -30.64 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.2 mt -74.19 -40.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -59.77 -63.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -29.54 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.59 -22.3 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.353 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.5 146.44 33.78 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.46 -34.95 2.38 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.604 2.203 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.0 p -124.87 173.63 8.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.07 -52.21 7.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.5 Cg_exo -50.08 -27.4 16.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.191 . . . . 0.0 112.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -36.29 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -63.85 -42.44 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.07 -37.55 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -73.99 -30.5 62.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppm? -72.18 -40.81 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.59 -39.86 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.4 mt -68.1 -41.03 82.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.56 -34.16 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.68 -46.77 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.2 t -60.21 -31.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -70.25 -31.4 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.9 t -76.83 -32.9 57.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -61.85 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.94 -158.17 27.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.62 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.07 -39.19 74.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.2 t -94.41 -31.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 t -60.98 -38.53 86.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.56 -48.1 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.64 -43.44 93.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -63.46 -41.52 98.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.82 -35.52 64.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.2 -41.56 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 mt -61.72 -46.91 87.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.06 -29.5 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -53.21 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.005 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -30.05 68.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.3 mt -92.21 -9.1 43.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.429 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.61 -30.11 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -31.31 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.23 -47.11 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -66.38 156.08 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -109.8 28.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.85 -44.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.74 132.5 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 176.79 -57.99 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.08 -13.37 15.65 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.599 2.2 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -79.66 -53.91 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.8 mt -61.71 -47.45 85.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -31.75 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -63.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.77 -28.89 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.05 80.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -73.31 78.15 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -126.06 31.57 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.65 162.0 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.87 61.46 0.95 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.8 -28.35 25.18 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 0.0 112.273 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.5 m -116.16 108.94 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.94 111.61 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.505 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.36 156.25 22.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 60.55 167.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.03 -76.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -85.71 124.92 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -73.18 152.8 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.85 117.8 1.46 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -114.15 88.21 14.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.649 0.261 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.77 -26.04 22.61 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.613 2.209 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -77.81 -59.53 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.05 -40.54 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.33 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.12 -30.44 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.06 -44.35 16.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -65.43 -54.25 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -46.69 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -97.84 37.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.3 -52.76 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -63.76 -32.86 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.01 -33.9 74.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.7 -31.46 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.55 -30.93 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -83.46 -42.9 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.16 -56.62 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.43 124.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -118.04 -40.83 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -83.93 102.76 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.6 p -92.55 -31.44 15.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -59.53 -35.19 73.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.98 -43.87 70.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.26 -45.74 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.46 -35.98 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.09 -45.89 91.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -68.46 -44.78 74.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 41' ' ' PHE . 61.8 mt -58.47 -31.39 67.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.4 -43.99 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -71.5 -30.19 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -81.46 0.21 38.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.24 48.79 3.52 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -115.19 -41.86 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.775 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.4 ' CD1' HD12 ' A' ' 35' ' ' LEU . 4.7 m-85 -107.36 152.31 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -105.67 172.07 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.76 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.83 -42.44 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -59.93 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -30.52 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.33 -32.69 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.0 mt -74.01 -46.94 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.3 -57.11 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.7 m -59.5 -30.44 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.6 -20.53 56.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.333 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.3 m -52.05 157.78 2.04 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.29 -38.24 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -132.71 -177.49 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -71.24 -53.07 8.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.6 Cg_exo -50.23 -27.74 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.543 2.162 . . . . 0.0 112.391 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.88 -31.17 40.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -64.97 -47.67 76.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.4 t -59.65 -35.07 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 tppm? -74.71 -39.59 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 33.2 mt -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.77 -41.12 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -35.54 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -68.28 -58.32 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -54.38 -34.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -67.25 -26.05 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.38 -31.65 20.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -59.92 -67.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 156.12 -177.3 33.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.31 -30.06 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -30.72 66.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.6 t -97.95 -32.67 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.8 t -66.15 -30.57 71.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -79.04 -29.07 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.01 -45.92 17.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -58.95 -51.7 68.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.94 -30.86 69.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -37.93 86.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.45 -31.56 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.3 mt -69.11 -30.0 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -75.73 -44.79 40.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -76.22 -51.13 12.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.44 -13.15 62.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.99 -29.05 26.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.732 0.301 . . . . 0.0 111.276 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -30.63 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.56 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -74.97 151.37 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -102.58 -34.39 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -30.32 61.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.43 123.76 40.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.408 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -178.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 72.2 Cg_endo -76.45 -31.22 4.59 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -58.89 -53.79 54.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.54 -30.84 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.9 mt -80.16 -29.81 38.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.78 -61.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.9 pt -58.93 -31.61 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.76 77.57 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -58.88 -52.68 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -63.96 117.0 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.4 m -98.18 32.17 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.6 130.47 2.33 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.88 145.47 45.58 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.452 2.101 . . . . 0.0 112.3 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.6 p -112.62 31.91 6.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.4 135.42 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.467 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -123.69 84.69 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.19 133.92 26.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.37 -144.35 17.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 139.27 30.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -112.31 -31.69 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.67 -82.44 1.46 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.666 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -103.07 93.47 4.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.642 0.258 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.15 -18.27 35.29 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.577 2.185 . . . . 0.0 112.573 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -99.92 -35.56 9.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.024 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.7 mt -76.98 -32.16 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -36.0 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.39 -31.83 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -73.6 -47.85 37.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -63.02 -51.41 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -64.03 -37.87 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -114.28 54.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 ttm-85 -88.0 -51.32 5.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -31.06 70.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 8.9 tp -71.8 -31.35 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.7 mt -73.33 -31.67 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.09 -29.2 45.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.7 m -84.51 -49.14 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.414 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -60.32 -53.57 56.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.45 135.89 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.75 -40.24 3.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -106.02 137.67 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 p -109.2 -34.81 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.57 -30.69 68.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.62 -49.32 78.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.95 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.12 -30.92 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.23 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -70.87 -34.35 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -85.32 -31.07 23.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.08 -31.52 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.98 -36.53 72.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -60.1 -40.33 89.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.41 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 68.3 m-80 -82.81 0.12 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.419 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 65.02 37.61 6.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -90.08 -39.74 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' CD1' ' HE3' ' A' ' 69' ' ' LYS . 1.5 m-85 -96.66 131.46 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.3 m -73.26 168.13 19.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.91 76.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.59 -38.22 83.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.81 -48.52 78.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.69 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -30.41 70.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.3 -39.38 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.27 -52.61 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.03 -29.47 69.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.57 46.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.451 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.26 144.33 51.52 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.061 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.07 -39.16 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.645 2.23 . . . . 0.0 112.42 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.4 p -122.52 -177.35 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 2.3 tp60 -74.87 -53.27 3.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.049 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 73.5 Cg_exo -49.48 -27.63 14.5 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.529 2.153 . . . . 0.0 112.3 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.12 -36.08 61.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -64.78 -51.46 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.15 -29.18 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.25 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -29.71 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -42.94 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.45 -42.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.21 -42.42 95.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -31.27 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -75.86 -45.05 37.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.53 -38.28 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.44 -30.44 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -76.59 -33.08 58.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HE3' ' CD1' ' A' ' 41' ' ' PHE . 60.2 mttm -67.3 -41.07 86.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.45 178.5 16.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.564 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.22 -26.32 68.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.14 -32.33 64.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.3 t -102.93 -29.52 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.72 -38.62 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.9 -43.2 75.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -66.76 -39.56 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -60.15 -49.34 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -30.98 70.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.52 -35.64 80.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.69 -36.07 78.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.17 -31.2 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.54 -41.61 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.47 -44.37 67.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.1 mt -69.28 -13.96 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.56 -26.53 13.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.416 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.0 -30.7 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.09 -32.85 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.9 123.49 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -100.45 31.41 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.15 -46.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mt -80.73 122.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.429 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.49 -52.56 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.429 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.7 Cg_exo -62.58 -30.38 79.22 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.498 2.132 . . . . 0.0 112.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -76.38 -46.73 26.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.9 mt -56.79 -31.12 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.73 -30.33 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.02 -57.41 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.78 -28.84 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.7 88.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -89.02 126.77 35.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.7 t -157.53 152.58 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.3 139.96 29.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.34 65.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.46 123.19 9.64 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.614 2.209 . . . . 0.0 112.246 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.4 m -89.24 157.5 18.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.9 t -96.11 135.88 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.525 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -150.14 -56.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -103.91 -53.97 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.34 -166.68 39.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -110.1 -36.6 5.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -105.55 145.01 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.51 -47.67 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.553 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -130.0 82.14 67.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.281 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.2 -28.04 40.32 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -80.36 -42.25 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.4 mt -74.42 -38.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -61.91 -31.2 71.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.44 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.73 -48.72 11.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.002 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -61.63 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.3 t -86.43 -45.61 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -100.14 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -77.37 -31.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.52 -32.18 58.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.1 tp -76.23 -32.55 58.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.18 -36.16 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.9 t -73.34 -30.07 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -83.01 -30.27 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -89.71 -55.07 3.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.962 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.3 mt -66.49 116.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -109.4 -34.42 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.91 110.0 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.6 p -96.68 -41.21 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -56.19 -29.7 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -69.55 -38.75 77.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' A' ' 77' ' ' PHE . 10.7 mt -75.5 -35.51 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.76 -32.87 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.216 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.04 -54.07 43.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -59.72 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD13 ' CE1' ' A' ' 41' ' ' PHE . 70.1 mt -59.84 -31.23 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.0 mt -76.0 -46.8 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -63.83 -32.15 73.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.7 0.12 44.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.359 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.2 58.68 1.12 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -121.83 -42.95 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.403 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.5 m-85 -97.05 145.12 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -90.92 168.19 11.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -31.31 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -78.12 -30.86 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.08 -47.04 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.22 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -64.46 -32.76 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mt -72.59 -31.52 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.09 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.72 -51.75 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.69 -31.51 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.66 -20.87 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.351 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.5 m -54.57 138.16 61.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.4 -31.53 3.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.546 2.164 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.3 p -122.9 178.75 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 4.8 tp60 -76.75 -51.04 2.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 71.8 Cg_exo -48.79 -27.0 10.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.147 . . . . 0.0 112.409 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.61 -35.27 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.792 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -63.49 -48.89 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.39 -42.8 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -68.37 -30.5 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -68.73 -41.73 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.3 mt -65.89 -42.54 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.64 -40.17 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.81 -32.03 70.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.23 -45.43 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.1 t -64.74 -37.27 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.75 -31.46 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -73.39 -33.62 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -66.37 -45.59 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.76 -163.65 24.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -26.47 41.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -31.47 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.92 -30.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -61.22 -33.05 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -75.31 -42.07 55.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.23 -33.9 75.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.412 ' CE1' HD23 ' A' ' 31' ' ' LEU . 33.4 t80 -72.89 -32.55 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.3 mt -77.86 -31.49 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.97 -34.92 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.24 -37.02 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 mt -59.62 -29.92 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -60.74 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.96 -44.54 92.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.0 -14.49 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.368 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.54 10.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.441 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -59.16 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.993 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.98 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -72.57 176.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.18 -46.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.47 -32.64 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.54 107.9 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 1.7 ttp180 -179.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 33.1 Cg_endo -64.22 -27.65 64.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.438 2.092 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -67.36 -43.91 80.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.83 -51.01 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.09 -31.27 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 pt -60.66 -28.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.68 87.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -108.71 106.17 16.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -131.74 -62.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m 60.58 31.35 20.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -148.07 126.58 2.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.383 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.38 -45.16 0.88 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.436 2.091 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.3 m -138.38 150.8 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.5 t -83.01 115.84 22.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.469 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -172.84 36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -79.5 -33.66 41.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.13 104.6 1.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.45 61.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.963 0.411 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.72 140.01 20.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 -167.15 31.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -108.13 88.65 4.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.676 0.274 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.87 -18.75 47.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.529 2.153 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -93.74 -38.29 11.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 HG22 HD12 ' A' ' 11' ' ' ILE . 29.7 mt -76.3 -43.75 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.223 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.96 -30.97 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.79 -31.57 71.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 mt -78.94 -41.39 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -70.02 -52.97 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 t -60.08 -44.97 94.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -101.0 34.43 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -69.82 -44.54 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.5 tp -75.58 -43.07 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.31 -35.6 81.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.0 t -71.96 -28.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.3 m -86.33 -35.98 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.981 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.415 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -81.71 -54.39 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 124.91 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -111.48 -44.59 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -89.41 127.52 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.85 -34.16 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -57.68 -36.61 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.2 m -60.2 -39.97 88.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.11 -34.11 65.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.73 -33.39 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -40.73 83.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -70.97 -47.17 60.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 HD13 ' CE1' ' A' ' 41' ' ' PHE . 21.9 mt -60.32 -35.98 76.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.72 -46.31 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -60.97 -37.47 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -82.78 0.08 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.35 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 65.98 71.14 0.42 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -132.34 -48.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.3 m-85 -93.63 151.85 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m -104.36 168.73 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.94 71.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -76.71 -31.82 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.91 -48.33 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.37 71.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -36.8 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.52 -36.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.27 -61.35 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -60.47 -28.53 68.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.38 37.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.352 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.79 156.38 4.95 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -77.99 -39.21 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.601 2.2 . . . . 0.0 112.4 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.1 p -130.91 -177.34 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.53 -52.45 6.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.4 Cg_exo -50.31 -28.09 19.7 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.594 2.196 . . . . 0.0 112.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.89 -32.84 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -63.94 -42.49 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.8 -33.08 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -71.34 -31.94 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -72.65 -42.13 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.8 mt -65.13 -36.08 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.26 -36.81 80.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.82 -40.25 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.98 -50.79 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.99 -37.11 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -70.19 -31.01 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.5 m -80.54 -33.57 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 26.4 mttm -59.46 -56.69 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.18 -170.59 24.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.567 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -73.0 -28.43 62.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.309 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -30.51 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.98 -30.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 t -59.55 -37.24 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.01 -37.9 75.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.31 -46.98 63.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -60.13 -38.82 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.19 -31.23 62.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.05 -38.13 85.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.19 -36.37 81.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.2 mt -59.47 -30.7 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -52.11 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.45 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.91 -22.9 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.63 18.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.349 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.19 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.93 -35.56 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -78.52 162.12 26.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 -39.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.07 113.11 19.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 48.7 ttm-85 179.22 -58.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 30.9 Cg_endo -63.26 -27.17 72.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.264 1.976 . . . . 0.0 112.361 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -71.71 -49.77 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.44 -44.26 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.51 -30.05 68.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.03 -66.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.57 -34.6 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.01 61.91 1.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.46 34.61 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 m -112.16 174.23 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.77 108.05 7.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 158.21 -146.61 13.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -50.9 133.85 40.82 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.64 2.226 . . . . 0.0 112.297 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -106.53 172.47 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -112.02 45.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.519 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -103.83 92.17 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 60.31 176.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.89 112.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -158.61 35.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.25 -56.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.41 -40.87 2.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -117.66 90.86 36.93 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.707 0.289 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.13 -23.01 34.12 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.617 2.211 . . . . 0.0 112.443 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -93.07 -36.24 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.7 mt -73.73 -30.44 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.252 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -70.23 -31.44 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.0 -31.02 69.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.84 -42.25 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -73.43 -51.63 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.54 74.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -115.03 39.53 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -60.59 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -31.03 68.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.8 tp -71.59 -35.88 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.7 -31.93 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.57 -29.24 46.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -94.79 -44.15 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.4 m-70 -59.67 -54.49 45.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.1 mt -70.29 131.73 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.048 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -120.47 -42.53 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.13 87.22 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.7 p -73.39 -34.75 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -64.51 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.62 -52.08 54.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.15 -41.43 92.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.8 t -70.63 -33.04 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.3 -51.03 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.56 -31.32 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.9 mt -77.21 -36.58 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -68.86 -35.77 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.54 0.26 43.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.431 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.69 56.1 0.94 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.985 0.421 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -116.13 -43.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.741 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.41 144.44 29.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -102.81 164.44 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.7 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.97 -28.71 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -81.82 -50.89 8.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.96 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.79 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.8 mt -73.17 -41.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.82 -56.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.74 -29.61 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.58 -23.54 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.317 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.8 m -54.98 146.41 38.52 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.14 -44.3 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.575 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.5 p -113.03 -176.8 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.3 OUTLIER -78.98 -52.91 1.18 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -50.55 -28.29 21.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.431 2.088 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -34.94 60.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -63.69 -49.18 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.98 -34.94 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -31.18 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -70.49 -37.99 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 44.0 mt -64.57 -41.83 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.68 -45.45 93.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -71.51 -53.82 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.03 -46.55 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -59.9 -30.85 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -80.15 -33.61 38.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -60.21 -67.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.81 -178.17 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.81 -36.15 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.84 -30.97 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -59.56 -30.98 69.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -76.63 -48.84 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.407 ' CE2' HD11 ' A' ' 80' ' ' LEU . 69.1 t80 -61.25 -43.3 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -59.11 -40.13 84.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.6 mt -79.99 -30.47 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.12 -31.39 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.407 HD11 ' CE2' ' A' ' 76' ' ' PHE . 5.3 mt -66.88 -34.87 78.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.47 -31.1 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -39.05 62.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -73.34 -53.05 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.34 -19.46 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.31 -26.71 7.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.541 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -30.48 64.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -111.27 34.31 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' CD2' HD11 ' A' ' 91' ' ' LEU . 8.8 m-85 -131.11 157.36 43.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.7 t -115.8 -52.39 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.43 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD11 ' CD2' ' A' ' 88' ' ' TYR . 12.8 mt -84.55 113.7 21.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.427 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.1 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 19.1 Cg_exo -65.96 -34.37 38.86 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.519 2.146 . . . . 0.0 112.122 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -59.21 -50.42 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.84 -36.69 70.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.97 -30.28 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.43 -52.03 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.3 pt -73.36 -30.08 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.72 49.63 17.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.39 103.29 1.0 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.334 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -63.67 142.43 58.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.95 -175.83 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.07 159.76 10.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.62 -28.21 26.2 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.581 2.187 . . . . 0.0 112.376 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 m -141.67 96.59 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -97.69 37.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.507 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.03 -53.62 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.49 -177.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.62 98.3 0.16 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 p -143.01 172.32 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.815 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.77 88.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.17 -153.74 45.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.552 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -106.93 102.25 41.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.584 0.23 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.61 -24.7 9.82 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.597 2.198 . . . . 0.0 112.678 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -86.82 -49.97 7.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 mt -72.25 -45.41 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -30.56 60.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.055 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.96 -39.69 94.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.792 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.93 -44.98 75.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -58.94 -31.05 68.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -87.31 -41.35 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -102.8 36.05 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -56.64 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.94 -31.98 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.07 -44.62 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.02 -31.28 69.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.0 t -68.2 -32.93 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -81.89 -30.05 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -82.52 -52.84 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.9 mt -69.58 136.68 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.16 -37.52 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -105.16 117.16 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 p -95.16 -32.65 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -29.82 70.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -40.38 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.79 -43.4 54.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.0 t -63.15 -34.65 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.71 -50.29 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.44 -44.61 86.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD13 ' CE1' ' A' ' 41' ' ' PHE . 18.1 mt -60.25 -43.58 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.86 -45.35 94.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -62.88 -34.74 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.74 0.08 45.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.411 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.41 46.45 3.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.935 0.398 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -106.64 -43.23 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.0 m-85 -93.86 135.04 35.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -30.66 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.62 -32.32 36.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.3 -35.49 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.33 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.68 -29.34 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.5 mt -68.4 -40.02 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.46 -51.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.38 -26.22 68.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.9 49.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.393 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.53 141.37 83.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.37 -36.01 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.487 2.125 . . . . 0.0 112.418 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.7 p -118.52 171.84 7.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -67.54 -52.68 26.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.36 -33.59 37.8 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.64 -31.21 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -71.16 -37.28 72.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.47 -32.51 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -77.24 -30.56 54.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.01 -43.63 57.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.54 -45.54 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.53 -39.62 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.54 -33.98 75.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.9 mt -71.07 -47.65 57.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -59.33 -40.71 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.03 -31.36 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -73.68 -33.59 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -65.97 -60.72 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 154.57 -158.57 28.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 -27.63 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.03 -47.39 81.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.73 -30.41 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -61.21 -47.62 85.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.52 -40.0 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -68.03 -45.01 75.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.71 -40.43 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.8 mt -75.05 -30.54 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.84 -41.45 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.55 -35.17 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.58 -30.93 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.66 -39.33 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -31.34 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.33 -10.14 45.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.353 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.7 20.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.686 0.279 . . . . 0.0 111.332 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -30.56 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.76 32.07 5.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -132.79 162.4 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.58 36.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -144.94 -43.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.086 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.79 27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -74.79 -61.14 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.969 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 58.2 Cg_endo -71.86 -24.96 20.54 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 112.474 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -58.2 -30.44 66.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.8 mt -80.36 -34.1 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.78 -31.34 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.52 -67.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 98' ' ' ILE . 31.3 pt -59.74 -36.48 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.77 66.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -91.2 -30.43 16.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -59.22 164.79 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -82.8 95.06 7.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.67 151.11 5.7 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.575 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.16 169.06 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.605 2.204 . . . . 0.0 112.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.4 m -166.01 -43.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.86 -76.6 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.498 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.88 -57.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -89.16 -31.2 18.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.69 -94.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -98.84 -170.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -127.11 135.11 50.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.32 94.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.552 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -111.17 137.5 20.99 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.66 0.267 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.72 -13.32 11.91 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.516 2.144 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -110.44 -45.26 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.8 mt -68.12 -45.92 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.341 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -59.03 -29.9 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.99 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.18 -47.4 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -58.36 -53.51 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -49.34 76.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -97.64 45.05 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -59.53 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.59 -30.78 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.98 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 tp -73.13 -30.88 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.8 mt -80.68 -30.8 36.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.9 t -68.73 -30.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -83.66 -33.45 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -76.7 -57.29 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.38 120.52 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.11 -45.78 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.5 123.55 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -101.67 -33.19 9.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -56.54 -28.76 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.74 -43.8 75.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD21 ' CE1' ' A' ' 77' ' ' PHE . 11.1 mt -67.14 -42.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.67 -33.04 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -46.25 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -69.6 -37.74 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 41' ' ' PHE . 37.6 mt -67.72 -31.37 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -73.32 -37.46 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -37.63 87.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.63 0.02 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.456 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 61.57 59.1 1.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.88 -44.83 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.3 m-85 -86.89 122.86 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.82 161.28 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.26 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.77 -38.8 37.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.26 -34.06 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.74 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -35.5 76.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.4 mt -66.97 -36.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.4 t -63.27 -57.03 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.84 -29.12 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.33 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.9 m -56.31 141.76 69.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.4 -40.81 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.493 2.129 . . . . 0.0 112.419 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.5 p -110.95 169.36 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.6 tp60 -70.49 -52.54 11.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.51 -30.71 28.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.49 2.126 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.17 -34.78 68.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -65.48 -46.11 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.35 -49.67 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -63.28 -29.18 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -68.96 -46.04 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.6 mt -63.04 -46.66 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 mt -56.47 -41.49 76.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.0 -30.86 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -73.16 -50.89 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.9 t -57.94 -30.38 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.03 -34.75 78.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.5 t -78.5 -32.96 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HE3' ' CD1' ' A' ' 41' ' ' PHE . 60.3 mttm -61.92 -36.37 81.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.93 16.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.54 -26.64 63.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.66 -30.53 61.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -101.21 -30.92 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -61.86 -38.29 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.16 -43.39 95.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -72.4 -41.84 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 31' ' ' LEU . 53.5 t80 -60.1 -30.59 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mt -82.95 -30.24 28.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.89 -43.22 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.57 -35.03 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.01 -22.14 64.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -50.91 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.108 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -67.29 -48.26 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.9 -28.08 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.77 -28.48 22.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.438 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -60.25 -29.6 68.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.17 -34.57 11.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -71.68 161.41 31.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 t -124.51 30.23 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.74 -45.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.05 131.69 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.62 -58.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.11 -26.18 9.45 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 112.44 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -63.9 -44.8 91.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.07 -33.37 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.32 -31.72 67.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.19 -35.12 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.9 pt -81.66 -30.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.44 52.55 4.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.86 120.39 40.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -176.55 -69.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.79 100.63 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.39 74.17 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.29 96.84 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.615 2.21 . . . . 0.0 112.29 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.0 p -163.1 158.63 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.11 171.02 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.423 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -72.74 -31.48 64.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -141.05 88.92 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.65 -44.14 6.99 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 61.07 43.66 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -114.75 151.86 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.67 -57.07 0.49 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.418 ' CG ' HD12 ' A' ' 11' ' ' ILE . 35.5 m170 -115.08 83.89 10.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.17 -32.06 38.64 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.61 2.207 . . . . 0.0 112.455 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -81.14 -47.65 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.981 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.418 HD12 ' CG ' ' A' ' 8' ' ' HIS . 43.2 mt -65.7 -33.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -31.69 72.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.773 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.64 -30.48 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.21 -42.29 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -64.07 -49.75 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -35.47 77.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -117.59 57.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -86.53 -43.14 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.31 -31.19 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.404 HD22 ' CZ3' ' A' ' 94' ' ' TRP . 13.2 mt -64.09 -32.95 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.8 t -64.54 -30.91 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -31.4 24.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -76.32 -45.56 31.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.38 136.11 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -39.81 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -111.69 134.27 53.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -106.84 -28.46 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -57.31 -30.86 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.01 -50.49 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 77' ' ' PHE . 7.7 mt -61.73 -45.23 94.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.7 t -62.24 -40.87 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -49.35 77.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.9 -40.06 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.85 -31.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 mt -76.77 -38.23 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -65.52 -35.75 81.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -82.52 0.08 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t0 63.7 52.81 2.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -117.15 -41.33 3.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.66 130.13 44.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -85.08 166.35 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.59 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.95 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.5 -51.06 71.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.62 -39.88 84.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.6 mt -69.18 -38.15 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.39 -54.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -28.74 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.88 -23.85 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.282 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -55.58 149.96 27.54 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.59 -36.24 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.63 2.22 . . . . 0.0 112.448 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 p -130.55 -177.31 4.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -71.88 -53.24 7.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.6 Cg_exo -48.72 -29.93 15.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.53 2.154 . . . . 0.0 112.442 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.89 -31.74 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.59 -47.4 66.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.93 -29.8 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -30.62 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -71.54 -35.86 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.3 mt -67.69 -38.49 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.05 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.88 -44.52 95.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.33 -34.66 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 mt -68.67 -50.61 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.28 -41.9 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.44 -31.47 71.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -76.79 -31.4 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -65.75 -75.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.61 -167.86 37.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.18 -29.34 62.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -30.71 65.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.93 -30.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 t -61.18 -45.74 93.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -64.97 -42.15 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -65.53 -43.45 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 31' ' ' LEU . 59.5 t80 -64.87 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.1 mt -83.52 -30.88 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.49 -41.99 88.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.43 -30.33 70.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.9 mt -59.88 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -80.98 -47.74 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -68.94 -40.32 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.79 -23.81 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.91 -28.13 15.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.377 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.16 31.42 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -127.27 174.95 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.99 32.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.84 -50.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.4 mt -68.12 108.48 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.424 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 32.9 Cg_exo -61.24 -32.2 90.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.491 2.127 . . . . 0.0 112.212 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.404 ' CZ3' HD22 ' A' ' 21' ' ' LEU . 30.0 t90 -72.55 -40.89 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.7 mt -58.37 -48.73 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -30.93 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.68 -47.88 57.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.2 pt -76.69 -33.81 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.74 73.38 0.83 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -83.58 125.09 31.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.22 179.91 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -153.54 32.24 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.97 126.83 6.12 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.388 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.85 98.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.385 2.057 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.7 t -145.72 142.29 28.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.7 p -147.89 117.82 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.503 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -64.25 147.64 51.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -142.12 146.87 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.86 -75.37 1.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -117.46 138.67 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 m -136.28 -46.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.98 69.02 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.399 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -151.9 103.88 2.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.55 0.214 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.55 -18.44 48.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.397 2.064 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -98.95 -40.71 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mt -73.49 -40.51 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -31.63 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.17 -30.9 69.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.7 mt -81.26 -47.09 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -64.28 -51.98 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -53.29 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -95.36 43.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -76.7 -60.1 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.62 -31.15 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.11 -45.3 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.25 -31.51 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.81 -30.87 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -86.78 -37.33 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -67.99 -58.41 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.89 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -35.14 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.42 141.67 41.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 p -113.4 -34.59 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -30.0 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.6 -41.32 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.19 -46.66 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.33 -39.62 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.49 -52.12 65.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -64.78 -45.76 84.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 ' CE1' ' A' ' 41' ' ' PHE . 6.8 mt -60.16 -31.05 69.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.16 -35.55 55.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -34.08 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -82.62 0.13 44.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.371 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t0 64.33 35.22 9.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -94.15 -50.42 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 3.3 m-85 -83.91 125.09 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -67.55 166.07 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -31.21 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.51 -37.94 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.18 -36.09 76.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.59 -29.31 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.9 mt -71.24 -30.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -71.14 -52.67 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.52 -25.06 64.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.997 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.24 -28.74 55.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -59.26 138.22 88.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.39 -41.1 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.509 2.139 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.0 p -111.2 175.94 5.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.41 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.3 tp60 -75.03 -52.68 3.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.7 Cg_exo -50.36 -27.48 18.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.535 2.157 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -34.33 54.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -63.54 -34.15 77.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 t -63.24 -45.93 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -66.19 -29.67 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -73.19 -47.33 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.9 mt -60.09 -41.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 mt -62.12 -45.35 93.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.33 -42.3 98.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.34 -43.65 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.69 -30.78 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.78 -32.56 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -33.3 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 54.7 mttm -63.57 -48.3 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.19 176.17 14.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.97 -27.59 69.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -29.9 61.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.14 -30.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -60.67 -39.77 89.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.44 -43.47 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.17 -40.62 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -62.32 -53.22 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.77 -30.94 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.59 -37.18 84.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 mt -59.81 -36.73 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.26 -31.08 69.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -44.91 50.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -72.11 -20.93 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.189 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.27 -24.99 12.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.348 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.65 -29.73 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.17 -47.63 7.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.407 ' CG ' HD12 ' A' ' 91' ' ' LEU . 77.4 m-85 -60.7 146.83 44.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.4 m -102.22 -37.61 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.24 -33.72 63.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD12 ' CG ' ' A' ' 88' ' ' TYR . 15.4 mt -83.7 104.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.442 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.5 ttp85 -177.81 -53.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 29.3 Cg_exo -61.7 -37.54 67.54 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.499 2.133 . . . . 0.0 112.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -62.12 -51.23 68.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.42 -52.74 62.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.26 -29.7 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -62.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 pt -58.89 -25.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.66 63.37 4.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -59.99 -66.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.9 t -98.11 119.58 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 t -95.2 69.13 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -135.25 148.74 19.71 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.59 -45.37 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.637 2.225 . . . . 0.0 112.265 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.2 m -137.67 135.91 36.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -172.08 125.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.53 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.5 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -172.73 99.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.89 -178.72 52.47 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.23 -50.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.833 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 m -77.41 154.18 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.43 -171.29 17.1 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.57 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -109.52 98.34 31.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.66 -19.73 47.5 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.462 2.108 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -97.01 -39.98 9.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.1 mt -76.77 -33.83 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.98 -30.11 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.0 mt -58.65 -31.6 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.18 -45.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.37 -35.05 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -39.6 38.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -107.05 36.77 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 ttm105 -61.07 -52.41 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.4 -31.89 65.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.56 -31.11 65.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.98 -30.58 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 t -73.59 -38.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -86.09 -58.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.5 mt -66.46 126.66 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.61 -36.81 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 116.2 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -102.04 -29.23 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -57.26 -43.59 83.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -42.07 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -37.62 79.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.5 t -74.25 -35.03 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.01 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.45 -40.86 93.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.86 -31.62 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.802 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.3 mt -75.34 -41.4 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -33.58 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.411 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 2.7 m-80 -78.16 -4.55 48.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.392 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.26 37.17 2.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -100.56 -48.78 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.808 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -93.37 130.65 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 m -84.92 167.68 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.03 -31.71 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.18 -53.18 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.39 -29.22 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -30.21 70.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.04 -38.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.97 -50.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.81 -27.85 69.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.378 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.0 m -55.25 151.15 19.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.043 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.6 -44.71 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.467 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.6 p -116.78 -177.68 3.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.99 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' CB ' ' HD3' ' A' ' 56' ' ' PRO . 1.1 mp0 -75.35 -53.73 2.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 55' ' ' GLN . 65.0 Cg_exo -51.26 -27.87 24.56 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.493 2.129 . . . . 0.0 112.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -31.79 58.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -67.55 -35.32 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.3 t -61.0 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -29.66 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -72.75 -41.32 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.4 HG22 ' CZ ' ' A' ' 77' ' ' PHE . 7.7 mt -63.84 -41.06 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 mt -58.98 -45.46 90.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.36 -39.82 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.98 -56.49 14.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.8 t -59.41 -32.43 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -31.31 40.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -64.76 -70.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.18 -170.24 30.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -64.36 -25.42 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -60.6 3.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.18 -33.38 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -59.99 -30.78 69.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -73.94 -53.72 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.04 -39.64 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.4 ' CZ ' HG22 ' A' ' 62' ' ' ILE . 28.3 t80 -59.67 -50.8 72.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.96 -30.89 68.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -60.3 -42.84 96.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.67 -36.53 76.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.6 mt -59.46 -26.74 65.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -83.08 -45.2 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -39.62 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.01 -21.09 43.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.89 -25.99 9.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.415 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.51 -29.66 62.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -113.99 37.65 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -129.31 152.4 48.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 m -111.06 -30.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.17 -39.18 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 mt -99.93 125.82 45.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.409 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 1.1 mtt180 -179.79 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 68.7 Cg_endo -74.18 -25.03 14.08 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.554 2.169 . . . . 0.0 112.463 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -57.47 -51.74 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.77 -30.59 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.26 -30.19 48.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -40.1 40.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.0 pt -75.34 -37.67 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.11 66.52 1.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.02 -50.45 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -140.34 142.98 35.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.3 t 63.74 134.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.9 -64.4 0.52 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 116.53 4.64 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.538 2.159 . . . . 0.0 112.307 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.46 113.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -83.4 172.4 12.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.317 -1.269 . . . . 0.0 112.517 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -139.16 119.63 13.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.746 0.308 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.38 30.35 19.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.69 -140.49 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -135.89 168.0 20.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.367 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -84.41 113.87 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.42 59.45 4.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.468 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.8 m80 60.74 111.31 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.557 0.218 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.63 -16.18 46.23 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.419 2.079 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -95.23 -42.29 8.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.82 0.343 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mt -74.46 -32.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -31.04 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.4 -31.53 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mt -80.56 -47.38 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -59.41 -44.0 92.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -70.93 -52.97 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -93.18 48.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -79.06 -53.58 6.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.53 -30.92 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.67 -42.95 73.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.4 mt -62.06 -32.46 72.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.7 t -66.35 -28.85 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -36.27 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -73.59 -52.7 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.0 mt -71.76 136.72 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -115.12 -38.43 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -100.19 135.51 41.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.3 p -114.29 -34.1 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.38 -30.73 65.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.46 -32.65 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -79.73 -31.93 41.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.82 -31.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -54.15 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.38 -45.61 92.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.409 HD11 ' CE1' ' A' ' 41' ' ' PHE . 81.4 mt -59.82 -30.89 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.31 -42.15 55.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -29.81 68.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.0 0.1 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.44 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 67.38 32.61 5.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.47 -44.09 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.409 ' CE1' HD11 ' A' ' 35' ' ' LEU . 2.7 m-85 -94.92 168.05 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -133.42 170.14 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.18 -33.56 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.6 -46.75 71.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.4 -36.32 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.61 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -29.96 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.5 mt -74.94 -43.62 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.39 -57.58 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -59.97 -29.68 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.4 -22.61 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.376 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.1 m -55.31 144.74 50.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.02 -37.53 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.8 p -123.36 -177.01 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 2.3 tp60 -76.6 -52.36 2.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.2 Cg_exo -50.24 -27.95 19.01 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.565 2.177 . . . . 0.0 112.363 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -36.06 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -64.27 -44.86 90.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -59.47 -31.0 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.37 -28.75 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -78.3 -42.22 31.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.3 mt -59.16 -29.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.23 -40.71 58.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -31.18 71.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.3 mt -72.94 -52.87 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.8 t -60.48 -30.56 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -72.28 -31.12 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -31.37 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -66.42 -70.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.12 -165.77 31.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.561 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.73 -28.0 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.715 0.293 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.13 -29.96 61.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 t -106.06 -30.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -57.93 -36.24 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.84 -46.64 43.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CE2' HD12 ' A' ' 80' ' ' LEU . 51.0 t80 -63.45 -39.74 95.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -66.06 -37.47 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -77.99 -31.21 50.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.46 -35.94 78.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.421 HD12 ' CE2' ' A' ' 76' ' ' PHE . 50.5 mt -60.35 -42.27 95.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.86 -30.02 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -50.78 29.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -69.07 -48.32 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.93 -13.13 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.345 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.44 -27.79 26.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -30.57 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.27 34.65 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.55 145.41 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.75 -52.33 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.19 -31.29 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.5 mt -95.19 125.16 39.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 6.3 mtt180 -179.77 -60.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 69.7 Cg_endo -74.61 -26.59 11.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.559 2.173 . . . . 0.0 112.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.8 t90 -59.24 -36.58 75.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.52 -31.42 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 mt -80.2 -31.08 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -74.05 -41.07 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.2 pt -69.98 -32.55 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.59 54.99 2.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.39 119.03 29.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.7 m -122.72 159.51 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.7 p -74.55 178.95 4.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.45 -103.59 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.37 -51.19 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.427 2.085 . . . . 0.0 112.422 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.69 97.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.0 p -62.75 -66.27 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.272 -1.293 . . . . 0.0 112.571 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.38 143.08 30.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 60.6 97.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.58 62.8 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -158.53 134.14 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -159.09 102.75 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -140.53 0.43 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.419 ' CG ' HD13 ' A' ' 11' ' ' ILE . 67.7 m80 -56.19 107.49 0.91 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.584 0.23 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.93 -22.28 73.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.561 2.174 . . . . 0.0 112.479 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -94.18 -51.53 4.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.419 HD13 ' CG ' ' A' ' 8' ' ' HIS . 33.8 mt -64.36 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -76.48 -33.79 58.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 mt -60.2 -32.33 70.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.62 -49.13 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -59.83 -56.06 26.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.21 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -102.67 51.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -81.03 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -59.98 -31.17 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.25 -35.95 80.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.32 -34.72 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.46 -29.19 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 m -81.42 -30.16 33.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -88.2 -56.58 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.07 153.51 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.044 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.6 -47.22 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -89.8 124.73 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.0 p -110.8 -29.63 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -30.37 64.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.011 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.28 -36.82 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.5 -38.92 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.94 -35.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.77 29.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -64.0 -32.91 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 41' ' ' PHE . 20.9 mt -72.4 -33.28 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.31 -32.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -75.76 -31.32 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 4.6 m-80 -82.34 0.02 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.367 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t0 66.49 31.81 7.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 18.5 m-85 -98.28 -32.8 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 35' ' ' LEU . 3.7 m-85 -113.99 151.92 31.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -118.14 169.03 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.44 69.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.35 -51.49 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -63.95 -46.81 83.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.75 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -72.89 -41.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.44 -55.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.77 -29.22 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.0 49.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.381 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.2 m -55.08 148.03 31.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.87 -36.11 2.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.628 2.219 . . . . 0.0 112.367 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.4 p -124.7 -177.11 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.1 tp60 -75.6 -52.15 2.93 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.2 Cg_exo -49.94 -28.97 19.86 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.6 2.2 . . . . 0.0 112.382 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.31 -30.9 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -70.09 -39.36 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.56 -42.75 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -39.82 89.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -61.0 -43.21 99.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.3 mt -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.983 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.18 -45.31 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.3 -36.93 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.25 -51.77 48.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.4 -41.22 83.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -62.57 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -33.18 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -66.35 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.78 -169.3 29.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.549 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.8 -26.69 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -56.13 -33.84 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.74 -32.23 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -60.11 -37.62 80.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -63.66 -50.16 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.59 -42.48 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -60.84 -42.97 98.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.49 -30.15 62.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.3 -40.45 97.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 mt -63.93 -32.64 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.9 mt -60.18 -30.37 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -41.52 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -76.76 -31.0 56.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.9 -18.0 31.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.02 -29.19 28.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.308 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.87 -41.44 62.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -30.81 69.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -81.15 153.2 27.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.13 29.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.6 -48.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.4 mt -70.51 116.38 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.444 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.4 ttt180 -177.56 -53.23 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.444 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.5 Cg_exo -62.59 -29.4 78.03 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.443 2.096 . . . . 0.0 112.215 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -73.67 -64.48 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.09 -32.4 61.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.09 -29.88 62.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.31 -53.28 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 pt -59.37 -29.89 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.9 53.18 9.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.92 124.98 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.33 95.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 p -176.6 147.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -116.52 -178.25 18.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.04 -168.78 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.308 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.9 m 60.33 96.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.8 p -118.76 141.99 48.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.511 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -82.2 91.57 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 t -125.08 161.84 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.61 44.84 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -164.98 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p -142.12 -47.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.06 107.11 2.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.409 ' CG ' HD13 ' A' ' 11' ' ' ILE . 29.4 m170 59.98 89.35 0.11 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.638 0.256 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.41 -22.04 39.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.583 2.189 . . . . 0.0 112.431 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -93.52 -37.76 11.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.004 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.409 HD13 ' CG ' ' A' ' 8' ' ' HIS . 27.9 mt -73.36 -32.38 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -39.19 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.22 -31.5 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 mt -73.98 -45.01 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -70.89 -52.56 19.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -60.35 -36.47 78.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -115.22 40.33 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -73.87 -53.84 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -33.6 72.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 19.1 tp -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.81 -31.26 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.2 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 m -88.61 -35.7 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.414 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.5 m-70 -74.21 -51.49 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 25' ' ' ILE . 46.5 mt -70.76 133.94 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.078 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.01 -49.76 2.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -95.61 122.05 37.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -96.4 -27.66 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -56.16 -36.88 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.71 -52.16 66.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.1 -31.5 72.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 t -75.95 -39.23 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.22 -48.71 77.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -65.52 -45.16 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.6 mt -59.9 -40.14 87.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -68.75 -41.91 78.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -60.47 -34.08 73.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.88 0.23 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.401 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.89 37.89 11.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -96.38 -50.54 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' CZ ' HG21 ' A' ' 62' ' ' ILE . 2.4 m-85 -87.26 119.91 27.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 m -67.72 178.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -37.1 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -45.26 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.94 -48.34 78.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.49 67.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.261 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -39.86 68.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.87 -41.42 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.12 -59.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.67 -28.17 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.32 -22.47 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.8 m -55.15 156.08 7.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.54 -40.01 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.635 2.223 . . . . 0.0 112.467 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.2 p -128.29 -177.44 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.016 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.55 -53.29 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 76.5 Cg_exo -49.64 -26.83 13.6 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.473 2.115 . . . . 0.0 112.435 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.02 -34.12 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -67.31 -34.78 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.29 -50.35 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.81 -32.18 73.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -65.32 -45.31 84.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.406 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 8.0 mt -63.25 -43.75 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.13 -37.88 81.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.08 -40.28 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.48 -55.2 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.8 t -57.46 -36.18 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.84 -29.66 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 t -85.63 -32.89 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.69 -168.13 36.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.576 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -76.26 -28.0 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.38 -36.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.9 t -60.16 -39.86 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.2 -44.98 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 80' ' ' LEU . 71.1 t80 -66.82 -34.88 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -66.33 -49.06 68.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -31.03 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.3 -36.38 83.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 76' ' ' PHE . 9.7 mt -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.25 -27.05 63.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -80.81 -40.36 25.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -44.25 56.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.32 -18.86 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.26 -26.94 8.01 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.79 0.328 . . . . 0.0 111.427 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.37 -30.96 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -46.46 8.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.96 139.1 58.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.32 30.17 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 -57.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.42 114.62 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.492 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 3.7 ttt180 -168.28 -56.21 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 24.1 Cg_exo -63.34 -31.41 73.14 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.391 2.06 . . . . 0.0 111.959 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -72.57 -43.85 62.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.4 mt -58.96 -47.28 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.23 -31.43 69.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.44 -54.17 47.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.6 pt -75.89 -33.94 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.36 91.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.11 43.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 m -168.35 150.17 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.77 110.19 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -110.3 143.98 16.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.44 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.05 -44.37 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.494 2.13 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 t -90.85 170.11 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.6 m 60.64 37.36 19.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.492 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -100.95 -45.5 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.729 0.3 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -60.2 -57.79 11.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.36 -28.09 17.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m 60.72 165.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -172.09 -178.23 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 8' ' ' HIS . . . -118.67 134.81 11.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 26.6 m80 -150.85 79.08 7.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.687 0.279 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.46 -22.94 17.61 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.629 2.219 . . . . 0.0 112.713 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -93.7 -42.59 9.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.288 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.4 mt -70.87 -41.6 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.31 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -31.56 66.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.15 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.2 mt -81.16 -42.72 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -66.23 -53.62 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -44.86 95.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -101.08 36.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -40.62 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -72.81 -32.79 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.48 -31.33 62.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.0 mt -71.02 -31.26 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.0 t -76.49 -29.6 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -30.38 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -90.16 -58.33 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.5 mt -61.18 115.4 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -40.3 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -96.03 129.68 43.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -107.31 -30.11 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.007 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.38 -30.5 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -41.41 93.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.82 -44.65 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.1 t -63.77 -40.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.019 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.46 -55.93 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -59.65 -44.53 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.91 -30.73 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -66.47 -39.85 89.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.48 0.12 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.424 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.37 37.44 6.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -92.27 -34.23 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CD1' ' HE3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -108.38 123.52 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 m -77.42 167.13 22.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.52 72.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.44 -34.92 61.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -68.4 -46.95 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -29.54 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.241 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.39 -38.04 86.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.7 mt -66.74 -42.59 89.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.09 -55.18 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -30.21 68.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.4 -23.31 56.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.5 m -55.2 144.24 51.26 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.77 -43.26 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.532 2.154 . . . . 0.0 112.381 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.1 p -109.28 173.21 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.01 -52.91 5.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 66.4 Cg_exo -50.88 -28.47 23.77 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.157 . . . . 0.0 112.325 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.28 -32.61 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -67.39 -41.0 85.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.2 t -62.25 -42.43 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -66.31 -30.33 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppm? -73.35 -43.71 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.2 -40.16 95.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.44 -46.44 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.63 -36.14 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.04 -32.96 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 m -78.95 -32.01 45.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HE3' ' CD1' ' A' ' 41' ' ' PHE . 51.5 mttm -60.27 -70.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.47 -177.8 36.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.615 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.15 -28.88 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -47.29 84.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.7 t -78.48 -30.29 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 t -61.96 -33.63 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -73.49 -46.94 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 80' ' ' LEU . 71.4 t80 -61.21 -39.63 90.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -63.83 -38.85 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.419 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -75.95 -29.95 58.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.52 -44.49 94.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 76' ' ' PHE . 11.6 mt -60.04 -33.33 71.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.73 -28.94 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -56.78 3.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -58.48 -30.67 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.47 -11.99 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.87 -27.12 4.73 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.786 0.327 . . . . 0.0 111.527 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -29.01 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.12 54.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -85.89 -51.1 6.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.9 t 65.62 15.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.273 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.42 -28.9 6.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 111.061 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.41 26.19 4.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -82.55 -52.54 0.68 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.734 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 92' ' ' ARG . 53.0 Cg_exo -54.58 -29.97 63.09 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.492 2.128 . . . . 0.0 112.062 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -71.32 -36.33 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.818 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.6 mt -66.83 -51.48 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.81 -31.37 70.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -66.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 39.4 pt -65.2 -30.86 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.52 63.74 1.99 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 15.8 t80 -63.52 -38.0 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.0 p -115.26 98.27 6.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.6 p -93.55 177.59 5.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.09 145.29 15.93 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.91 162.87 39.94 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.568 2.179 . . . . 0.0 112.33 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -109.6 -38.23 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.49 135.73 38.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.517 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 t -92.23 95.07 9.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -116.17 125.34 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.6 -44.57 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -70.31 87.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -66.02 -42.7 89.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.72 -84.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -146.31 86.91 6.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.77 -25.76 21.79 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.605 2.203 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -82.72 -45.75 14.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.3 mt -73.09 -34.64 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.4 mt -60.06 -41.13 91.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.7 mt -70.71 -47.06 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -63.22 -35.89 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -76.44 -46.99 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -97.54 38.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -74.16 -48.2 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -64.24 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 tp -80.24 -33.28 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.16 -32.31 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.35 -29.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -84.43 -50.65 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.048 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -62.3 -57.18 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.8 mt -62.33 133.31 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -121.31 -54.65 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -93.01 125.15 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.6 p -102.03 -25.65 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -55.74 -35.67 66.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -50.01 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.78 -31.5 72.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.0 t -76.58 -39.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.96 -31.45 69.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.4 -42.49 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -32.85 73.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.1 m-80 -83.3 0.06 47.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.392 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.95 38.36 6.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 11.1 m-85 -99.17 -60.2 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -75.96 126.05 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -70.84 168.2 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.47 80.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -71.14 -38.01 72.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -59.06 -45.18 91.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.56 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.41 -31.48 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 mt -72.21 -36.09 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.4 t -71.13 -40.62 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.7 m -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.02 -24.72 40.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.393 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.57 146.98 52.75 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.94 -41.8 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.592 2.195 . . . . 0.0 112.381 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.1 p -118.39 -177.41 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -74.68 -53.13 3.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 75.3 Cg_exo -49.53 -35.89 38.32 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.59 2.194 . . . . 0.0 112.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -34.19 77.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -61.34 -50.34 73.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 t -54.05 -30.63 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -31.27 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.1 -45.45 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.5 mt -55.16 -39.55 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.52 -41.0 93.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.25 -59.05 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.0 t -59.94 -40.08 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.06 -34.28 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -32.95 56.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -60.49 -75.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.49 -162.93 34.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.29 -28.71 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.74 -30.47 65.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.67 -32.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -63.54 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -77.25 -49.43 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.6 -43.22 93.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -59.67 -52.21 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.86 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.53 -38.13 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.8 mt -60.15 -35.13 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -50.19 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.64 -12.42 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.415 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.68 -29.62 27.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 111.326 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.84 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.412 ' CD2' HD13 ' A' ' 91' ' ' LEU . 30.4 m-85 -78.68 155.82 29.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.02 -37.4 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.48 -58.74 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 88' ' ' TYR . 4.6 mt -69.83 115.35 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.439 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.7 mmm-85 -177.28 -53.06 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.439 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 17.8 Cg_exo -66.29 -32.0 42.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 0.0 112.083 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -59.27 -45.78 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.08 -49.5 71.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.5 -29.62 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.25 -52.25 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -73.37 -37.68 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.46 77.17 1.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.15 35.44 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -138.97 165.87 25.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.9 t -164.76 130.74 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.4 170.08 35.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.548 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 129.42 17.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 p -171.2 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.16 178.23 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.519 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.517 ' CG ' HD12 ' A' ' 11' ' ' ILE . 14.4 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -24.01 39.98 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.59 2.193 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -91.3 -42.6 10.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.209 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.622 HG22 ' CE ' ' A' ' 15' ' ' LYS . 28.8 mt -70.58 -37.98 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.36 -34.99 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.37 -31.51 72.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.58 -41.05 47.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.622 ' CE ' HG22 ' A' ' 11' ' ' ILE . 8.6 mttm -71.42 -45.59 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -100.83 31.41 3.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.803 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.5 ttm180 -67.06 -30.79 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.54 -30.19 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD11 ' NE2' ' A' ' 24' ' ' HIS . 6.2 tp -79.5 -37.02 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.055 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.468 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 25.5 mt -64.29 -32.07 73.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 18' ' ' ARG . 29.7 t -73.65 -24.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -92.32 -29.25 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.411 ' NE2' HD11 ' A' ' 20' ' ' LEU . 1.7 m-70 -86.93 -52.47 5.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.031 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.458 HD11 HD22 ' A' ' 21' ' ' LEU . 41.5 mt -66.78 142.4 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -130.93 -46.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.05 114.56 20.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.9 p -105.82 -33.83 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -38.37 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.6 -41.13 98.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.651 HD22 ' CE1' ' A' ' 77' ' ' PHE . 10.2 mt -63.18 -31.79 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.609 HG12 ' CD1' ' A' ' 36' ' ' LEU . 21.6 t -81.44 -40.24 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -60.32 -37.32 80.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -77.43 -35.29 54.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.618 HD13 ' CE1' ' A' ' 41' ' ' PHE . 26.7 mt -74.88 -31.66 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.609 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.1 mt -67.23 -41.88 84.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -71.77 -30.99 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -82.57 0.07 44.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.329 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 65.02 52.99 1.44 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -119.5 -42.03 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 35' ' ' LEU . 5.0 m-85 -107.6 123.13 48.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -82.44 172.47 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.96 73.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -73.14 -52.43 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.49 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.197 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.94 -31.11 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mt -75.15 -41.47 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.2 t -61.06 -57.25 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.02 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.99 -30.7 69.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.29 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 m -54.7 150.54 17.79 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.013 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.32 -36.17 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.624 2.216 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.5 p -135.21 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -70.25 -52.34 12.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -48.93 -27.02 10.89 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.458 2.105 . . . . 0.0 112.301 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.42 -35.08 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.09 -47.01 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -65.53 -33.63 76.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -67.92 -45.87 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.7 mt -62.96 -43.05 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 60' ' ' ARG . 25.6 mt -58.86 -42.94 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.1 -34.48 78.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.8 mt -68.07 -52.46 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.7 t -56.67 -39.6 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.76 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -34.67 64.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.609 ' HD2' HG11 ' A' ' 73' ' ' VAL . 19.2 mttm -65.84 -65.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.23 -169.94 30.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.61 -26.42 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.324 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.45 -47.41 79.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.609 HG11 ' HD2' ' A' ' 69' ' ' LYS . 29.4 t -85.62 -33.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.433 ' O ' HD12 ' A' ' 78' ' ' LEU . 2.8 t -60.64 -34.2 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.35 -38.01 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CE2' HD11 ' A' ' 80' ' ' LEU . 67.8 t80 -75.94 -42.84 47.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.651 ' CE1' HD22 ' A' ' 31' ' ' LEU . 61.0 t80 -60.84 -42.46 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 74' ' ' SER . 1.0 OUTLIER -71.09 -30.46 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.54 -41.22 93.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 76' ' ' PHE . 10.3 mt -59.38 -30.21 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 26.0 mt -65.45 -28.69 69.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -82.87 -59.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.054 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.9 mt -91.32 -22.27 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -49.1 -28.31 4.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -29.49 67.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.69 39.19 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.43 ' CD2' HD12 ' A' ' 91' ' ' LEU . 3.7 m-85 -130.0 172.06 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 90' ' ' ASP . 25.4 m -124.7 -44.81 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 89' ' ' VAL . 3.6 t0 -76.8 -31.38 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 88' ' ' TYR . 32.3 mt -96.2 117.57 31.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.417 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.36 -61.42 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HA ' HD12 ' A' ' 96' ' ' LEU . 40.8 Cg_endo -67.11 -26.37 42.86 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.401 2.067 . . . . 0.0 112.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.468 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 26.2 t90 -65.82 -52.79 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.19 -33.83 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 93' ' ' PRO . 10.6 mt -69.26 -29.37 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.35 -48.56 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.6 pt -74.39 -34.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.68 89.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 10.3 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.663 ' ND1' HD12 ' A' ' 11' ' ' ILE . 26.3 m80 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.488 0.185 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.21 -23.18 22.11 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.483 2.122 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -89.18 -42.12 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.663 HD12 ' ND1' ' A' ' 8' ' ' HIS . 25.0 mt -75.59 -41.29 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.17 -37.86 75.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.4 -31.13 71.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD22 ' CD2' ' A' ' 63' ' ' LEU . 72.4 mt -80.4 -39.94 27.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -68.76 -33.35 73.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -81.67 -45.37 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.53 45.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -79.2 -50.95 10.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.49 -30.23 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.38 -34.29 67.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 25' ' ' ILE . 18.2 mt -72.82 -30.64 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.0 t -68.23 -30.0 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.244 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -86.23 -27.11 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -85.02 -48.98 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 21' ' ' LEU . 41.1 mt -70.1 131.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -105.8 -54.24 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.48 129.24 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 59' ' ' VAL . 40.5 p -112.26 -34.41 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -34.66 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.93 -44.78 96.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 77' ' ' PHE . 17.5 mt -64.0 -43.42 95.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -66.64 -33.47 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.58 -52.06 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -64.18 -37.09 86.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 41' ' ' PHE . 42.4 mt -67.53 -31.45 71.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.63 -39.57 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -34.33 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.415 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 8.1 m-80 -82.58 0.08 44.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.55 38.16 4.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 8.5 m-85 -98.85 -43.56 6.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.7 m-85 -93.26 168.06 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.34 170.62 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.04 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.32 -44.68 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.781 ' OD1' HD22 ' A' ' 65' ' ' LEU . 33.5 m-20 -62.15 -49.44 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.02 -30.07 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 2.3 tt0 -66.85 -33.68 76.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.403 HG21 ' HD2' ' A' ' 61' ' ' LYS . 21.6 mt -74.09 -39.12 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.9 -63.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -58.36 -28.61 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.19 -23.7 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.354 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.2 m -55.41 148.74 31.47 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.575 2.183 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.8 p -122.07 178.17 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -53.64 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.48 -27.85 19.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.538 2.159 . . . . 0.0 112.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -33.34 64.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -65.36 -34.22 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.673 HG11 ' HA ' ' A' ' 22' ' ' VAL . 27.8 t -63.01 -36.58 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HA ' HD12 ' A' ' 63' ' ' LEU . 3.4 ttt180 -72.7 -30.99 64.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HD2' HG21 ' A' ' 48' ' ' ILE . 2.4 tppm? -73.31 -42.1 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.768 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.4 mt -66.52 -30.34 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.55 ' CD2' HD22 ' A' ' 14' ' ' LEU . 17.2 mt -73.45 -43.77 59.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.98 -37.23 86.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD22 ' OD1' ' A' ' 45' ' ' ASP . 85.2 mt -70.13 -55.62 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.887 HG13 HG12 ' A' ' 73' ' ' VAL . 27.0 t -59.51 -31.59 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -74.96 -39.61 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -66.31 -34.04 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.646 ' HD3' HG21 ' A' ' 73' ' ' VAL . 31.8 mttm -60.75 -75.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.07 -163.4 36.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' CD2' ' A' ' 8' ' ' HIS . 6.0 mt-10 -74.42 -27.77 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -40.74 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.978 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.887 HG12 HG13 ' A' ' 66' ' ' VAL . 21.6 t -94.84 -30.82 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 78' ' ' LEU . 12.7 t -60.71 -38.8 86.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -68.54 -46.28 69.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -60.56 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.444 ' CE1' HD22 ' A' ' 31' ' ' LEU . 44.3 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 74' ' ' SER . 1.1 mt -76.33 -31.3 58.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.3 -38.63 90.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.72 -33.45 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -59.94 -31.02 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.628 ' HG3' HD22 ' A' ' 95' ' ' LEU . 11.3 mt-30 -80.12 -40.75 26.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -45.98 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mt -71.72 -19.75 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.13 -25.98 10.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.4 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.99 -50.48 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.18 -36.01 27.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -62.54 -177.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 90' ' ' ASP . 15.2 m -145.15 -46.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 89' ' ' VAL . 62.6 m-20 -58.62 -29.9 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 HG12 ' A' ' 25' ' ' ILE . 17.9 mt -103.82 125.34 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 3.6 mtp180 179.9 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 48.6 Cg_endo -69.09 -26.69 30.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.403 2.069 . . . . 0.0 112.378 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.628 HD22 ' HG3' ' A' ' 82' ' ' GLN . 15.9 mt -69.36 -46.07 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.75 -30.83 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.37 -56.78 4.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -61.58 -33.07 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.63 73.53 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.425 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.468 ' CG ' HD12 ' A' ' 11' ' ' ILE . 22.6 m80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.694 0.283 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 -23.84 19.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.513 2.142 . . . . 0.0 112.484 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -90.2 -43.92 10.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.785 HG22 ' HE3' ' A' ' 15' ' ' LYS . 27.6 mt -72.67 -36.23 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.07 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.5 mt -80.36 -45.17 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.785 ' HE3' HG22 ' A' ' 11' ' ' ILE . 21.0 mttt -60.11 -48.33 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -41.22 76.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -105.4 40.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 ttm180 -72.48 -59.42 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.49 -31.4 70.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.9 tp -66.87 -32.71 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.636 HD22 HD11 ' A' ' 25' ' ' ILE . 44.0 mt -78.46 -31.29 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 18' ' ' ARG . 26.7 t -63.19 -30.16 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -93.4 -35.34 13.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.416 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.9 m-70 -69.67 -57.92 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.636 HD11 HD22 ' A' ' 21' ' ' LEU . 38.9 mt -73.84 123.22 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -33.49 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -98.87 110.8 23.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -98.54 -30.73 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -57.75 -38.86 76.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -38.64 82.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -50.24 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.23 -38.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.57 81.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -67.71 -42.46 81.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.13 -37.0 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.3 mt -71.6 -45.56 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -61.41 -37.75 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -82.46 0.15 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.406 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.19 61.01 0.93 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.001 0.429 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -119.35 -48.2 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -93.31 -177.92 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -134.08 167.18 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.13 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.172 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -67.89 -41.56 82.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.586 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.2 m-20 -63.51 -51.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.76 71.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -41.19 92.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.1 mt -66.88 -37.46 79.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.5 t -59.54 -55.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.35 -23.13 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.5 m -54.76 147.81 29.72 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.85 -43.88 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.406 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.6 p -115.69 -176.75 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -77.36 -53.32 1.64 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 74.7 Cg_exo -50.44 -30.13 26.38 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.566 2.177 . . . . 0.0 112.362 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -35.32 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -64.3 -44.45 91.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.535 HG11 ' HA ' ' A' ' 22' ' ' VAL . 14.4 t -61.26 -30.84 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.31 -34.04 55.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -68.04 -39.26 83.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.05 -47.09 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.31 -37.19 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.74 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.52 HD22 ' OD2' ' A' ' 45' ' ' ASP . 52.1 mt -68.61 -55.03 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 73' ' ' VAL . 38.2 t -58.49 -38.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.63 ' HG2' HG23 ' A' ' 11' ' ' ILE . 58.7 mt-30 -63.21 -30.15 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 m -87.25 -30.88 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.71 ' HD2' HG11 ' A' ' 73' ' ' VAL . 58.4 mttm -59.7 -49.5 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.73 176.44 18.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.517 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.36 -29.17 69.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.706 0.289 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.82 -56.97 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.71 HG11 ' HD2' ' A' ' 69' ' ' LYS . 16.8 t -66.4 -30.82 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.3 t -60.94 -47.88 84.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.99 -43.05 99.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 80' ' ' LEU . 58.9 t80 -65.08 -37.02 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -69.18 -31.65 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 81' ' ' LEU . 16.3 mt -85.91 -30.4 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -39.45 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 76' ' ' PHE . 6.7 mt -68.09 -30.88 70.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.765 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 36.0 mt -59.27 -29.4 67.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.561 ' HA ' HD13 ' A' ' 95' ' ' LEU . 10.8 tt0 -78.44 -45.93 21.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.067 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -49.32 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.8 mt -74.58 -15.49 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -50.58 -27.65 7.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.78 0.324 . . . . 0.0 111.406 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -31.95 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.91 -35.43 24.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -79.08 161.05 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.86 27.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.44 -38.7 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.033 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 25' ' ' ILE . 1.4 mt -96.37 31.31 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.442 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.34 -52.13 5.38 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 94.7 Cg_endo -80.35 -25.29 4.83 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.604 2.203 . . . . 0.0 112.384 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -57.36 -61.57 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 82' ' ' GLN . 6.3 mt -56.91 -34.42 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.38 -30.62 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.58 -68.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 99' ' ' GLY . 18.3 pt -59.26 -29.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 98' ' ' ILE . . . 59.45 91.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.566 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.5 ' CG ' HD12 ' A' ' 11' ' ' ILE . 75.2 m80 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.453 0.168 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.59 -27.14 32.99 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.404 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -83.31 -43.69 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.5 HD12 ' CG ' ' A' ' 8' ' ' HIS . 28.0 mt -73.36 -39.0 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.84 -30.59 69.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt -59.96 -31.46 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 63' ' ' LEU . 37.3 mt -81.16 -42.7 20.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' HE3' HG22 ' A' ' 11' ' ' ILE . 57.9 mttt -61.53 -47.08 87.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -69.57 -38.19 77.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -107.99 38.41 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.0 ttm-85 -71.02 -56.01 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.51 -30.7 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.05 -43.67 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 25' ' ' ILE . 13.0 mt -59.35 -31.86 69.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -60.86 -30.4 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 m -85.72 -37.38 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -71.79 -47.82 50.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 21' ' ' LEU . 33.4 mt -75.57 120.79 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -104.81 -39.57 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -98.01 130.74 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 21.4 p -110.21 -31.81 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -31.67 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -65.49 -39.01 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.32 -43.99 65.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 28' ' ' THR . 31.0 t -68.03 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.44 -51.53 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -67.45 -44.22 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.666 HD13 ' CE1' ' A' ' 41' ' ' PHE . 35.9 mt -59.39 -31.99 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.25 -45.78 53.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -66.03 -33.65 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -82.01 0.13 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.42 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 62.96 44.67 5.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -107.69 -37.02 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.666 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.6 m-85 -105.36 133.95 49.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -77.28 163.82 26.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.33 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -37.98 81.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.628 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.6 m-20 -59.33 -49.18 78.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.73 -30.44 64.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 45' ' ' ASP . 17.5 mt -74.86 -32.14 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.95 -47.9 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -26.79 68.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -26.47 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.353 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.0 147.15 65.78 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.35 -37.36 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.593 2.195 . . . . 0.0 112.537 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.3 p -127.43 -177.77 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.52 -53.65 5.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 79.9 Cg_exo -47.81 -27.46 8.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.594 2.196 . . . . 0.0 112.347 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.52 -31.73 29.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -67.09 -44.55 79.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.652 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.5 t -58.36 -33.9 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.25 -37.64 71.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -66.54 -35.74 80.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 59' ' ' VAL . 14.0 mt -69.24 -46.51 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 14' ' ' LEU . 9.2 mt -58.62 -40.54 83.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.43 -36.7 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.6 -56.87 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.508 HG13 HG12 ' A' ' 73' ' ' VAL . 34.7 t -58.37 -31.93 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -68.15 -30.62 69.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -88.17 -29.85 20.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HD2' HG11 ' A' ' 73' ' ' VAL . 18.2 mttm -57.89 -53.6 56.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.21 -160.89 27.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.565 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.7 -29.76 25.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.32 -31.35 67.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.739 HG11 ' HD2' ' A' ' 69' ' ' LYS . 19.9 t -99.33 -30.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 t -67.02 -36.8 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -73.42 -36.2 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.837 ' CE2' HD11 ' A' ' 80' ' ' LEU . 46.5 t80 -73.64 -40.97 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -61.27 -35.43 77.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 81' ' ' LEU . 87.2 mt -80.7 -30.85 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -40.14 79.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.837 HD11 ' CE2' ' A' ' 76' ' ' PHE . 5.9 mt -59.94 -39.22 84.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.786 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 24.9 mt -59.24 -29.63 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -44.43 62.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -74.69 -56.63 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.12 -19.32 61.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -50.2 -26.77 4.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.483 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.31 -28.96 57.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.89 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.441 ' CD2' HD12 ' A' ' 91' ' ' LEU . 51.7 m-85 -72.8 154.76 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.53 -30.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.91 -44.44 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 88' ' ' TYR . 4.2 mt -81.42 121.39 26.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.26 -60.19 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.16 -27.39 11.78 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.576 2.184 . . . . 0.0 112.383 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -62.92 -59.0 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.52 -47.29 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -29.35 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -77.33 -49.08 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 pt -70.43 -25.99 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.46 77.11 0.3 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.58 -25.39 14.52 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.551 2.167 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -82.77 -54.71 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.63 -32.37 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -31.58 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.7 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 63' ' ' LEU . 10.3 mt -81.51 -44.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -63.14 -42.24 99.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.56 -41.06 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.15 37.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.713 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.9 ttm105 -72.54 -39.22 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.73 -31.26 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -41.71 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 63' ' ' LEU . 39.4 mt -60.19 -36.38 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.1 t -63.33 -30.62 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.035 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -88.14 -30.92 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -77.2 -60.61 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 26' ' ' ARG . 20.7 mt -71.6 155.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' N ' HG22 ' A' ' 25' ' ' ILE . 36.3 ttt-85 -143.17 -47.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.79 81.42 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' VAL . 44.9 p -71.95 -28.27 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -56.56 -30.46 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.8 m -71.63 -45.7 61.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.408 HD11 HG21 ' A' ' 25' ' ' ILE . 27.3 mt -60.89 -43.76 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -68.77 -33.97 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -52.64 64.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' A' ' 41' ' ' PHE . 24.4 mt -66.1 -36.97 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -67.74 -45.0 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 2.4 m-80 -82.25 -0.06 43.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.436 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 62.6 39.02 11.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.872 0.367 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 14.5 m-85 -98.84 -49.84 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.8 m-85 -83.44 129.03 34.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -71.28 159.28 34.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.23 -31.78 60.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 48' ' ' ILE . 37.6 m-20 -66.65 -44.82 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.85 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -69.23 -30.64 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 45' ' ' ASP . 22.2 mt -74.19 -40.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -59.77 -63.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -29.54 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.59 -22.3 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.5 146.44 33.78 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.46 -34.95 2.38 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.604 2.203 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.0 p -124.87 173.63 8.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.07 -52.21 7.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.5 Cg_exo -50.08 -27.4 16.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.191 . . . . 0.0 112.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -36.29 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -63.85 -42.44 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.5 t -59.07 -37.55 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -73.99 -30.5 62.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppm? -72.18 -40.81 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.868 ' O ' HG23 ' A' ' 66' ' ' VAL . 14.4 mt -69.59 -39.86 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.522 ' CD2' HD22 ' A' ' 14' ' ' LEU . 39.4 mt -68.1 -41.03 82.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.56 -34.16 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.68 -46.77 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 62' ' ' ILE . 34.2 t -60.21 -31.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -70.25 -31.4 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.9 t -76.83 -32.9 57.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.543 ' HD3' HG21 ' A' ' 73' ' ' VAL . 56.5 mttm -61.85 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.94 -158.17 27.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.62 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.07 -39.19 74.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.543 HG21 ' HD3' ' A' ' 69' ' ' LYS . 20.2 t -94.41 -31.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 t -60.98 -38.53 86.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.56 -48.1 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 80' ' ' LEU . 50.9 t80 -59.64 -43.44 93.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -63.46 -41.52 98.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' A' ' 81' ' ' LEU . 17.2 mt -73.82 -35.52 64.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.2 -41.56 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 76' ' ' PHE . 9.1 mt -61.72 -46.91 87.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.676 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 11.8 mt -59.06 -29.5 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.517 ' HA ' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -73.7 -53.21 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.005 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -30.05 68.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.3 mt -92.21 -9.1 43.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.429 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -55.61 -30.11 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -31.31 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.23 -47.11 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -66.38 156.08 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -109.8 28.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.85 -44.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.74 132.5 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 176.79 -57.99 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.08 -13.37 15.65 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.599 2.2 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -79.66 -53.91 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 82' ' ' GLN . 5.8 mt -61.71 -47.45 85.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -31.75 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -63.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.77 -28.89 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.05 80.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.838 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 m80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.649 0.261 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.77 -26.04 22.61 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.613 2.209 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.594 ' O ' HD11 ' A' ' 78' ' ' LEU . 17.1 m80 -77.81 -59.53 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.472 HG23 ' HG2' ' A' ' 67' ' ' GLN . 35.3 mt -67.05 -40.54 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.33 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.12 -30.44 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.536 ' HA ' HD11 ' A' ' 21' ' ' LEU . 15.8 mt -82.06 -44.35 16.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -65.43 -54.25 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -46.69 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -97.84 37.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.6 ttm180 -64.3 -52.76 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -63.76 -32.86 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.01 -33.9 74.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.681 HD13 ' CD2' ' A' ' 63' ' ' LEU . 10.1 mt -69.7 -31.46 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -72.55 -30.93 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -83.46 -42.9 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.16 -56.62 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.415 ' CD1' HD21 ' A' ' 81' ' ' LEU . 30.7 mt -76.43 124.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -118.04 -40.83 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -83.93 102.76 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 p -92.55 -31.44 15.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -59.53 -35.19 73.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.98 -43.87 70.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.26 -45.74 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -67.46 -35.98 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.09 -45.89 91.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -68.46 -44.78 74.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 41' ' ' PHE . 61.8 mt -58.47 -31.39 67.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.4 -43.99 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -71.5 -30.19 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -81.46 0.21 38.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.24 48.79 3.52 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' HD2' HG13 ' A' ' 73' ' ' VAL . 22.1 m-85 -115.19 -41.86 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.775 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.683 ' CE1' HD13 ' A' ' 35' ' ' LEU . 4.7 m-85 -107.36 152.31 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -105.67 172.07 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.76 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.83 -42.44 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.692 ' HA ' HD12 ' A' ' 48' ' ' ILE . 52.5 m-20 -59.93 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -30.52 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.9 mt-10 -70.33 -32.69 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 45' ' ' ASP . 11.0 mt -74.01 -46.94 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.3 -57.11 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.7 m -59.5 -30.44 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -59.6 -20.53 56.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.333 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.3 m -52.05 157.78 2.04 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.29 -38.24 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -132.71 -177.49 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -71.24 -53.07 8.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.6 Cg_exo -50.23 -27.74 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.543 2.162 . . . . 0.0 112.391 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.88 -31.17 40.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -64.97 -47.67 76.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 28' ' ' THR . 32.4 t -59.65 -35.07 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 tppm? -74.71 -39.59 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 33.2 mt -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.681 ' CD2' HD13 ' A' ' 21' ' ' LEU . 16.2 mt -61.77 -41.12 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -35.54 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -68.28 -58.32 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.749 HG13 HG12 ' A' ' 73' ' ' VAL . 24.3 t -54.38 -34.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 11' ' ' ILE . 68.2 mt-30 -67.25 -26.05 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.38 -31.65 20.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.679 ' HD2' HG11 ' A' ' 73' ' ' VAL . 26.7 mttt -59.92 -67.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 156.12 -177.3 33.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.31 -30.06 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -30.72 66.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.749 HG12 HG13 ' A' ' 66' ' ' VAL . 18.6 t -97.95 -32.67 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.566 ' O ' HD12 ' A' ' 78' ' ' LEU . 28.8 t -66.15 -30.57 71.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -79.04 -29.07 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.01 -45.92 17.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 35' ' ' LEU . 14.7 t80 -58.95 -51.7 68.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 10' ' ' HIS . 13.3 mt -59.94 -30.86 69.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -37.93 86.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.45 -31.56 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.782 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 58.3 mt -69.11 -30.0 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -75.73 -44.79 40.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -76.22 -51.13 12.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.44 -13.15 62.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.782 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -52.99 -29.05 26.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.732 0.301 . . . . 0.0 111.276 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -30.63 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.56 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.525 ' CG ' HD12 ' A' ' 91' ' ' LEU . 79.0 m-85 -74.97 151.37 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -102.58 -34.39 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -30.32 61.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 88' ' ' TYR . 3.0 mt -96.43 123.76 40.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.408 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -178.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 72.2 Cg_endo -76.45 -31.22 4.59 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -58.89 -53.79 54.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.54 -30.84 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.9 mt -80.16 -29.81 38.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.78 -61.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.9 pt -58.93 -31.61 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.76 77.57 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.696 ' CG ' HD12 ' A' ' 11' ' ' ILE . 22.1 m170 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.642 0.258 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.15 -18.27 35.29 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.577 2.185 . . . . 0.0 112.573 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -99.92 -35.56 9.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.024 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 8' ' ' HIS . 25.7 mt -76.98 -32.16 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -36.0 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.39 -31.83 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD22 ' CD2' ' A' ' 63' ' ' LEU . 30.7 mt -73.6 -47.85 37.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -63.02 -51.41 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -64.03 -37.87 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -114.28 54.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.2 ttm-85 -88.0 -51.32 5.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -31.06 70.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 8.9 tp -71.8 -31.35 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 21' ' ' LEU . 16.7 mt -73.33 -31.67 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 59' ' ' VAL . 31.6 t -67.09 -29.2 45.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.7 m -84.51 -49.14 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.413 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -60.32 -53.57 56.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.45 135.89 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.75 -40.24 3.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -106.02 137.67 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.492 HG21 ' HB2' ' A' ' 58' ' ' LYS . 7.7 p -109.2 -34.81 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.57 -30.69 68.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.62 -49.32 78.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.2 mt -65.95 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -67.12 -30.92 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.23 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -70.87 -34.35 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -85.32 -31.07 23.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.662 HD11 ' HD1' ' A' ' 77' ' ' PHE . 8.5 mt -76.08 -31.52 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.98 -36.53 72.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -60.1 -40.33 89.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 68.3 m-80 -82.81 0.12 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.419 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 65.02 37.61 6.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -90.08 -39.74 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CD1' ' HE3' ' A' ' 69' ' ' LYS . 1.5 m-85 -96.66 131.46 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.3 m -73.26 168.13 19.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.91 76.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.59 -38.22 83.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.81 -48.52 78.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.69 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -30.41 70.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.3 -39.38 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.27 -52.61 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.03 -29.47 69.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.57 46.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.451 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.26 144.33 51.52 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.061 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.07 -39.16 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.645 2.23 . . . . 0.0 112.42 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.4 p -122.52 -177.35 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 2.3 tp60 -74.87 -53.27 3.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.049 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 73.5 Cg_exo -49.48 -27.63 14.5 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.529 2.153 . . . . 0.0 112.3 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.12 -36.08 61.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HB2' HG21 ' A' ' 28' ' ' THR . 3.1 mtpp -64.78 -51.46 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.7 t -55.15 -29.18 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.25 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -29.71 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -42.94 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.849 ' O ' HG23 ' A' ' 66' ' ' VAL . 62.3 mt -59.45 -42.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.548 ' CD2' HD22 ' A' ' 14' ' ' LEU . 25.7 mt -60.21 -42.42 95.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -31.27 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -75.86 -45.05 37.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 62' ' ' ILE . 25.6 t -58.53 -38.28 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.558 ' HG2' HG23 ' A' ' 11' ' ' ILE . 44.1 mt-30 -65.44 -30.44 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -76.59 -33.08 58.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HD2' HG11 ' A' ' 73' ' ' VAL . 60.2 mttm -67.3 -41.07 86.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.45 178.5 16.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.564 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.22 -26.32 68.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.14 -32.33 64.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.456 HG11 ' HD2' ' A' ' 69' ' ' LYS . 20.3 t -102.93 -29.52 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.72 -38.62 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.9 -43.2 75.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -66.76 -39.56 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.662 ' HD1' HD11 ' A' ' 35' ' ' LEU . 39.2 t80 -60.15 -49.34 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -30.98 70.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.52 -35.64 80.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.69 -36.07 78.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.17 -31.2 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.54 -41.61 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.47 -44.37 67.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 84' ' ' LEU . 18.1 mt -69.28 -13.96 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.56 -26.53 13.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.416 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.0 -30.7 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.09 -32.85 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.9 123.49 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -100.45 31.41 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.15 -46.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mt -80.73 122.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.507 ' HA ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -179.49 -52.56 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.7 Cg_exo -62.58 -30.38 79.22 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.498 2.132 . . . . 0.0 112.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -76.38 -46.73 26.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 92' ' ' ARG . 6.9 mt -56.79 -31.12 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.73 -30.33 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.02 -57.41 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.78 -28.84 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.7 88.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.754 ' CG ' HD12 ' A' ' 11' ' ' ILE . 30.5 m170 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.691 0.281 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.2 -28.04 40.32 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -80.36 -42.25 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.754 HD12 ' CG ' ' A' ' 8' ' ' HIS . 36.4 mt -74.42 -38.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -61.91 -31.2 71.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.44 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 21' ' ' LEU . 71.4 mt -81.73 -48.72 11.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.002 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -61.63 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.3 t -86.43 -45.61 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -100.14 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.827 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.6 ttm180 -77.37 -31.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.52 -32.18 58.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.1 tp -76.23 -32.55 58.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 25' ' ' ILE . 47.5 mt -71.18 -36.16 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.9 t -73.34 -30.07 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -83.01 -30.27 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -89.71 -55.07 3.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.962 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.57 HD11 HD22 ' A' ' 21' ' ' LEU . 37.3 mt -66.49 116.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.108 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -109.4 -34.42 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.91 110.0 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 p -96.68 -41.21 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -56.19 -29.7 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -69.55 -38.75 77.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 77' ' ' PHE . 10.7 mt -75.5 -35.51 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 28' ' ' THR . 21.9 t -71.76 -32.87 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.04 -54.07 43.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -59.72 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.677 HD13 ' CE1' ' A' ' 41' ' ' PHE . 70.1 mt -59.84 -31.23 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD11 HG12 ' A' ' 32' ' ' VAL . 19.0 mt -76.0 -46.8 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -63.83 -32.15 73.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.7 0.12 44.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.359 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.2 58.68 1.12 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -121.83 -42.95 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.677 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.5 m-85 -97.05 145.12 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -90.92 168.19 11.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -31.31 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -78.12 -30.86 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' OD2' HD22 ' A' ' 65' ' ' LEU . 1.3 m-20 -75.08 -47.04 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.22 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -64.46 -32.76 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mt -72.59 -31.52 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.09 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.72 -51.75 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.69 -31.51 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.66 -20.87 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.351 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.5 m -54.57 138.16 61.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.4 -31.53 3.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.546 2.164 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.3 p -122.9 178.75 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.4 tp-100 -76.75 -51.04 2.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 71.8 Cg_exo -48.79 -27.0 10.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.147 . . . . 0.0 112.409 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.61 -35.27 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.792 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' CB ' HG21 ' A' ' 28' ' ' THR . 18.8 mtpt -63.49 -48.89 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 28' ' ' THR . 39.4 t -63.39 -42.8 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.3 mtt180 -68.37 -30.5 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -68.73 -41.73 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.732 ' O ' HG23 ' A' ' 66' ' ' VAL . 12.3 mt -65.89 -42.54 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 60' ' ' ARG . 15.0 mt -60.64 -40.17 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.81 -32.03 70.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.407 HD22 ' OD2' ' A' ' 45' ' ' ASP . 78.6 mt -74.23 -45.43 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 62' ' ' ILE . 30.1 t -64.74 -37.27 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.75 -31.46 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -73.39 -33.62 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -66.37 -45.59 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.76 -163.65 24.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -26.47 41.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -31.47 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.598 HG12 HG13 ' A' ' 66' ' ' VAL . 21.4 t -99.92 -30.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -61.22 -33.05 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -75.31 -42.07 55.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.23 -33.9 75.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.66 ' HA ' HD12 ' A' ' 80' ' ' LEU . 33.4 t80 -72.89 -32.55 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 81' ' ' LEU . 20.3 mt -77.86 -31.49 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.97 -34.92 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 77' ' ' PHE . 6.2 mt -62.24 -37.02 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 78' ' ' LEU . 12.1 mt -59.62 -29.92 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -60.74 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.96 -44.54 92.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 80' ' ' LEU . 89.1 mt -67.0 -14.49 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.368 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.54 10.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.441 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -59.16 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.993 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.98 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -72.57 176.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.18 -46.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.47 -32.64 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.54 107.9 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 1.7 ttp180 -179.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 33.1 Cg_endo -64.22 -27.65 64.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.438 2.092 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -67.36 -43.91 80.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.83 -51.01 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.09 -31.27 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 pt -60.66 -28.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.68 87.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.53 ' HE2' HD13 ' A' ' 78' ' ' LEU . 3.3 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.466 ' CG ' HD12 ' A' ' 11' ' ' ILE . 21.0 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.676 0.274 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.87 -18.75 47.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.529 2.153 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -93.74 -38.29 11.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.609 HG23 ' HA ' ' A' ' 67' ' ' GLN . 29.7 mt -76.3 -43.75 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.223 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.96 -30.97 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.79 -31.57 71.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.44 HD23 HD11 ' A' ' 21' ' ' LEU . 57.8 mt -78.94 -41.39 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -70.02 -52.97 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 t -60.08 -44.97 94.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -101.0 34.43 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.2 ttm180 -69.82 -44.54 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 94' ' ' TRP . 2.5 tp -75.58 -43.07 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.625 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 92.2 mt -65.31 -35.6 81.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 18' ' ' ARG . 28.0 t -71.96 -28.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.3 m -86.33 -35.98 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.981 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.411 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -81.71 -54.39 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 124.91 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -111.48 -44.59 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -89.41 127.52 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.705 HG22 HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -106.85 -34.16 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -57.68 -36.61 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.2 m -60.2 -39.97 88.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.11 -34.11 65.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -76.73 -33.39 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -40.73 83.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -70.97 -47.17 60.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 41' ' ' PHE . 21.9 mt -60.32 -35.98 76.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.72 -46.31 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -60.97 -37.47 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -82.78 0.08 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.35 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 65.98 71.14 0.42 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -132.34 -48.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.3 m-85 -93.63 151.85 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m -104.36 168.73 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.94 71.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -76.71 -31.82 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.91 -48.33 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.37 71.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -36.8 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.52 -36.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.27 -61.35 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -60.47 -28.53 68.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.38 37.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.352 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.79 156.38 4.95 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -77.99 -39.21 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.601 2.2 . . . . 0.0 112.4 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.1 p -130.91 -177.34 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -72.53 -52.45 6.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.4 Cg_exo -50.31 -28.09 19.7 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.594 2.196 . . . . 0.0 112.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.89 -32.84 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -63.94 -42.49 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.476 HG22 HG23 ' A' ' 28' ' ' THR . 25.5 t -62.8 -33.08 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -71.34 -31.94 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -72.65 -42.13 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.749 ' O ' HG23 ' A' ' 66' ' ' VAL . 52.8 mt -65.13 -36.08 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.26 -36.81 80.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.82 -40.25 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.98 -50.79 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.6 t -58.99 -37.11 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.609 ' HA ' HG23 ' A' ' 11' ' ' ILE . 57.0 mt-30 -70.19 -31.01 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.5 m -80.54 -33.57 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.545 ' HD2' HG11 ' A' ' 73' ' ' VAL . 26.4 mttm -59.46 -56.69 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.18 -170.59 24.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.567 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -73.0 -28.43 62.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.309 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -30.51 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.545 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.4 t -105.98 -30.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 t -59.55 -37.24 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.01 -37.9 75.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.31 -46.98 63.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.453 ' HD1' HD11 ' A' ' 35' ' ' LEU . 81.0 t80 -60.13 -38.82 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.19 -31.23 62.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.05 -38.13 85.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.19 -36.37 81.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 33.2 mt -59.47 -30.7 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -52.11 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.45 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.91 -22.9 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.69 -29.63 18.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.349 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.19 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.93 -35.56 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.406 ' CD2' HD12 ' A' ' 91' ' ' LEU . 5.7 m-85 -78.52 162.12 26.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 -39.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.406 HD12 ' CD2' ' A' ' 88' ' ' TYR . 11.5 mt -81.07 113.11 19.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.466 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 48.7 ttm-85 179.22 -58.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 30.9 Cg_endo -63.26 -27.17 72.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.264 1.976 . . . . 0.0 112.361 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.625 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 29.3 t90 -71.71 -49.77 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.44 -44.26 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.51 -30.05 68.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.03 -66.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.57 -34.6 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.01 61.91 1.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.871 ' CG ' HD12 ' A' ' 11' ' ' ILE . 21.6 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.707 0.289 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.13 -23.01 34.12 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.617 2.211 . . . . 0.0 112.443 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.43 ' HD2' HD12 ' A' ' 78' ' ' LEU . 16.7 m80 -93.07 -36.24 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.871 HD12 ' CG ' ' A' ' 8' ' ' HIS . 40.7 mt -73.73 -30.44 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.252 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -70.23 -31.44 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.0 -31.02 69.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.554 HD22 HD23 ' A' ' 63' ' ' LEU . 15.1 mt -78.84 -42.25 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HE2' HG22 ' A' ' 11' ' ' ILE . 23.0 mttm -73.43 -51.63 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.54 74.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -115.03 39.53 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -68.11 -60.59 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -31.03 68.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.8 tp -71.59 -35.88 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 25' ' ' ILE . 34.8 mt -73.7 -31.93 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.3 t -64.57 -29.24 46.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -94.79 -44.15 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.4 m-70 -59.67 -54.49 45.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 21' ' ' LEU . 32.1 mt -70.29 131.73 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.048 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -120.47 -42.53 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.13 87.22 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 32' ' ' VAL . 76.7 p -73.39 -34.75 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -64.51 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.62 -52.08 54.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.15 -41.43 92.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 28' ' ' THR . 30.8 t -70.63 -33.04 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.3 -51.03 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 77' ' ' PHE . 38.4 mt -62.56 -31.32 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.9 mt -77.21 -36.58 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -68.86 -35.77 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.54 0.26 43.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.431 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.69 56.1 0.94 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.985 0.421 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -116.13 -43.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.741 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.41 144.44 29.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -102.81 164.44 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.7 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.97 -28.71 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' HB3' HD13 ' A' ' 65' ' ' LEU . 17.9 m-20 -81.82 -50.89 8.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.96 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.79 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.8 mt -73.17 -41.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.82 -56.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.74 -29.61 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 48' ' ' ILE . . . -57.58 -23.54 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.8 m -54.98 146.41 38.52 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.14 -44.3 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.575 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.5 p -113.03 -176.8 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.3 OUTLIER -78.98 -52.91 1.18 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -50.55 -28.29 21.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.431 2.088 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -34.94 60.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -63.69 -49.18 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.514 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.5 t -56.98 -34.94 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.558 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.12 -31.18 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -70.49 -37.99 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.0 mt -64.57 -41.83 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 60' ' ' ARG . 12.1 mt -61.68 -45.45 93.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 45' ' ' ASP . 34.6 mt -71.51 -53.82 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 62' ' ' ILE . 21.7 t -59.03 -46.55 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -59.9 -30.85 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -80.15 -33.61 38.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.516 ' HD2' HG11 ' A' ' 73' ' ' VAL . 53.6 mttm -60.21 -67.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.81 -178.17 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.81 -36.15 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.516 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.5 t -93.84 -30.97 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -59.56 -30.98 69.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -76.63 -48.84 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 80' ' ' LEU . 69.1 t80 -61.25 -43.3 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.422 ' CD1' HD11 ' A' ' 35' ' ' LEU . 22.4 t80 -59.11 -40.13 84.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.43 HD12 ' HD2' ' A' ' 10' ' ' HIS . 85.6 mt -79.99 -30.47 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.12 -31.39 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 76' ' ' PHE . 5.3 mt -66.88 -34.87 78.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.743 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 43.7 mt -59.47 -31.1 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -39.05 62.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -73.34 -53.05 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.34 -19.46 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.31 -26.71 7.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.541 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -30.48 64.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -111.27 34.31 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.759 ' CD2' HD12 ' A' ' 91' ' ' LEU . 8.8 m-85 -131.11 157.36 43.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.7 t -115.8 -52.39 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.43 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.759 HD12 ' CD2' ' A' ' 88' ' ' TYR . 12.8 mt -84.55 113.7 21.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.431 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.1 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.431 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 19.1 Cg_exo -65.96 -34.37 38.86 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.519 2.146 . . . . 0.0 112.122 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -59.21 -50.42 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.84 -36.69 70.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.97 -30.28 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.43 -52.03 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.3 pt -73.36 -30.08 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.72 49.63 17.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.334 . . . . 0.0 110.894 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.3 m80 . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.584 0.23 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.61 -24.7 9.82 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.597 2.198 . . . . 0.0 112.678 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -86.82 -49.97 7.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 mt -72.25 -45.41 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -30.56 60.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.055 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 13' ' ' LEU . 12.5 mt -63.96 -39.69 94.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 63' ' ' LEU . 19.6 mt -67.93 -44.98 75.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -58.94 -31.05 68.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -87.31 -41.35 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -102.8 36.05 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.13 -56.64 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.94 -31.98 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.07 -44.62 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 25' ' ' ILE . 10.5 mt -60.02 -31.28 69.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 18' ' ' ARG . 26.0 t -68.2 -32.93 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -81.89 -30.05 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -82.52 -52.84 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.897 HD11 HD22 ' A' ' 21' ' ' LEU . 49.9 mt -69.58 136.68 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.16 -37.52 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -105.16 117.16 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.57 ' CG2' HG22 ' A' ' 59' ' ' VAL . 4.3 p -95.16 -32.65 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.13 -29.82 70.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -40.38 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.79 -43.4 54.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.0 t -63.15 -34.65 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.71 -50.29 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.44 -44.61 86.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.78 HD13 ' CE1' ' A' ' 41' ' ' PHE . 18.1 mt -60.25 -43.58 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.86 -45.35 94.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -62.88 -34.74 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.74 0.08 45.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.411 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.41 46.45 3.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.935 0.398 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -106.64 -43.23 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.78 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.0 m-85 -93.86 135.04 35.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -30.66 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.62 -32.32 36.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 48' ' ' ILE . 3.8 m-20 -67.3 -35.49 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.33 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.68 -29.34 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 45' ' ' ASP . 28.5 mt -68.4 -40.02 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.46 -51.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.38 -26.22 68.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.9 49.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.393 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.53 141.37 83.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.37 -36.01 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.487 2.125 . . . . 0.0 112.418 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.7 p -118.52 171.84 7.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -67.54 -52.68 26.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.36 -33.59 37.8 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.64 -31.21 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HB2' HG21 ' A' ' 28' ' ' THR . 4.4 mtpp -71.16 -37.28 72.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 22' ' ' VAL . 39.2 t -66.47 -32.51 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -77.24 -30.56 54.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.01 -43.63 57.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 66' ' ' VAL . 6.5 mt -62.54 -45.54 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 14' ' ' LEU . 19.0 mt -58.53 -39.62 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.54 -33.98 75.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD22 ' OD2' ' A' ' 45' ' ' ASP . 68.9 mt -71.07 -47.65 57.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 62' ' ' ILE . 22.8 t -59.33 -40.71 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.03 -31.36 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -73.68 -33.59 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -65.97 -60.72 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 154.57 -158.57 28.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 -27.63 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.03 -47.39 81.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.73 -30.41 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -61.21 -47.62 85.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.52 -40.0 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -68.03 -45.01 75.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.71 -40.43 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 81' ' ' LEU . 58.8 mt -75.05 -30.54 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.84 -41.45 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.55 -35.17 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 78' ' ' LEU . 8.1 mt -59.58 -30.93 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.655 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -82.66 -39.33 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -31.34 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.33 -10.14 45.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.353 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.7 20.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.686 0.279 . . . . 0.0 111.332 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -30.56 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.76 32.07 5.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -132.79 162.4 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.58 36.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -144.94 -43.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.086 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.79 27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.406 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -74.79 -61.14 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.969 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 58.2 Cg_endo -71.86 -24.96 20.54 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 112.474 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -58.2 -30.44 66.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.655 HD13 ' HG2' ' A' ' 82' ' ' GLN . 9.8 mt -80.36 -34.1 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.78 -31.34 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.52 -67.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.3 pt -59.74 -36.48 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.77 66.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.96 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.411 ' CG ' HD12 ' A' ' 11' ' ' ILE . 72.9 m80 . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.66 0.267 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.72 -13.32 11.91 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.516 2.144 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -110.44 -45.26 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 15' ' ' LYS . 29.8 mt -68.12 -45.92 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.341 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -59.03 -29.9 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.99 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.18 -47.4 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HD2' HG22 ' A' ' 11' ' ' ILE . 6.9 mttp -58.36 -53.51 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -49.34 76.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -97.64 45.05 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -76.5 -59.53 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.59 -30.78 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.98 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 tp -73.13 -30.88 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.557 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 41.8 mt -80.68 -30.8 36.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.9 t -68.73 -30.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -83.66 -33.45 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -76.7 -57.29 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.38 120.52 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.11 -45.78 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.5 123.55 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -101.67 -33.19 9.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -56.54 -28.76 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.74 -43.8 75.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD22 ' CE1' ' A' ' 77' ' ' PHE . 11.1 mt -67.14 -42.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.67 -33.04 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -46.25 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -69.6 -37.74 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' A' ' 41' ' ' PHE . 37.6 mt -67.72 -31.37 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -73.32 -37.46 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -37.63 87.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.63 0.02 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.456 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 61.57 59.1 1.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.88 -44.83 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.3 m-85 -86.89 122.86 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.82 161.28 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.26 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.77 -38.8 37.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.703 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.1 m-20 -63.26 -34.06 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.74 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -35.5 76.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 45' ' ' ASP . 8.4 mt -66.97 -36.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 45' ' ' ASP . 28.4 t -63.27 -57.03 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.84 -29.12 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.33 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.9 m -56.31 141.76 69.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.4 -40.81 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.493 2.129 . . . . 0.0 112.419 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.5 p -110.95 169.36 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.6 tp60 -70.49 -52.54 11.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.51 -30.71 28.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.49 2.126 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.17 -34.78 68.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -65.48 -46.11 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 22' ' ' VAL . 17.4 t -58.35 -49.67 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HA ' HD12 ' A' ' 63' ' ' LEU . 9.2 ttt85 -63.28 -29.18 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -68.96 -46.04 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 66' ' ' VAL . 59.6 mt -63.04 -46.66 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 60' ' ' ARG . 15.7 mt -56.47 -41.49 76.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.0 -30.86 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -73.16 -50.89 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.9 t -57.94 -30.38 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.03 -34.75 78.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.5 t -78.5 -32.96 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HB3' HG21 ' A' ' 73' ' ' VAL . 60.3 mttm -61.92 -36.37 81.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.93 16.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.54 -26.64 63.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.66 -30.53 61.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 69' ' ' LYS . 21.4 t -101.21 -30.92 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.421 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.6 t -61.86 -38.29 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.16 -43.39 95.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -72.4 -41.84 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.506 ' CE1' HD22 ' A' ' 31' ' ' LEU . 53.5 t80 -60.1 -30.59 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 74' ' ' SER . 8.2 mt -82.95 -30.24 28.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.89 -43.22 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.57 -35.03 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.742 HD22 HD22 ' A' ' 91' ' ' LEU . 3.4 mt -61.01 -22.14 64.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' HA ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.21 -50.91 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.108 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -67.29 -48.26 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.9 -28.08 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.77 -28.48 22.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.438 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -60.25 -29.6 68.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.17 -34.57 11.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -71.68 161.41 31.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 89' ' ' VAL . 13.5 t -124.51 30.23 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.74 -45.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.742 HD22 HD22 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -87.05 131.69 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.62 -58.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.11 -26.18 9.45 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 112.44 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.557 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 40.1 t90 -63.9 -44.8 91.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 82' ' ' GLN . 4.9 mt -67.07 -33.37 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.32 -31.72 67.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.19 -35.12 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.9 pt -81.66 -30.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.44 52.55 4.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.739 ' CG ' HD12 ' A' ' 11' ' ' ILE . 35.5 m170 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.17 -32.06 38.64 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.61 2.207 . . . . 0.0 112.455 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -81.14 -47.65 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.981 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.739 HD12 ' CG ' ' A' ' 8' ' ' HIS . 43.2 mt -65.7 -33.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -31.69 72.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.773 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.64 -30.48 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 63' ' ' LEU . 96.2 mt -85.21 -42.29 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -64.07 -49.75 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -35.47 77.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -117.59 57.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 ttm105 -86.53 -43.14 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.31 -31.19 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.506 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 13.2 mt -64.09 -32.95 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ARG . 25.8 t -64.54 -30.91 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -31.4 24.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -76.32 -45.56 31.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.586 HD12 ' CG1' ' A' ' 59' ' ' VAL . 20.7 mt -75.38 136.11 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -39.81 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -111.69 134.27 53.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.3 p -106.84 -28.46 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -57.31 -30.86 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.01 -50.49 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.644 HD22 ' CE1' ' A' ' 77' ' ' PHE . 7.7 mt -61.73 -45.23 94.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 28' ' ' THR . 26.7 t -62.24 -40.87 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -49.35 77.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.9 -40.06 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 41' ' ' PHE . 17.6 mt -65.85 -31.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 41' ' ' PHE . 56.7 mt -76.77 -38.23 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -65.52 -35.75 81.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -82.52 0.08 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t0 63.7 52.81 2.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' A' ' 73' ' ' VAL . 9.3 m-85 -117.15 -41.33 3.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.501 ' O ' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -97.66 130.13 44.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -85.08 166.35 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.59 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.95 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.668 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.4 m-20 -59.5 -51.06 71.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.62 -39.88 84.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 9.6 mt -69.18 -38.15 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.4 t -59.39 -54.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -28.74 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 48' ' ' ILE . . . -56.88 -23.85 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.282 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -55.58 149.96 27.54 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.59 -36.24 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.63 2.22 . . . . 0.0 112.448 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 p -130.55 -177.31 4.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -71.88 -53.24 7.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.6 Cg_exo -48.72 -29.93 15.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.53 2.154 . . . . 0.0 112.442 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.89 -31.74 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.59 -47.4 66.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.586 ' CG1' HD12 ' A' ' 25' ' ' ILE . 29.3 t -58.93 -29.8 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.762 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.62 -30.62 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -71.54 -35.86 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 66' ' ' VAL . 24.3 mt -67.69 -38.49 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.05 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 60' ' ' ARG . 7.0 mt -62.88 -44.52 95.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.33 -34.66 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' A' ' 45' ' ' ASP . 19.2 mt -68.67 -50.61 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 62' ' ' ILE . 30.9 t -61.28 -41.9 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.44 -31.47 71.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -76.79 -31.4 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.602 ' HD3' HG21 ' A' ' 73' ' ' VAL . 66.8 mttm -65.75 -75.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.61 -167.86 37.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.18 -29.34 62.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -30.71 65.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 69' ' ' LYS . 21.2 t -101.93 -30.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 t -61.18 -45.74 93.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -64.97 -42.15 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 80' ' ' LEU . 49.0 t80 -65.53 -43.45 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.644 ' CE1' HD22 ' A' ' 31' ' ' LEU . 59.5 t80 -64.87 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.556 ' HA ' HD12 ' A' ' 81' ' ' LEU . 68.1 mt -83.52 -30.88 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.49 -41.99 88.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 76' ' ' PHE . 9.0 mt -61.43 -30.33 70.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 78' ' ' LEU . 71.9 mt -59.88 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.523 ' HG2' HD13 ' A' ' 95' ' ' LEU . 22.9 mt-30 -80.98 -47.74 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -68.94 -40.32 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.79 -23.81 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.91 -28.13 15.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.377 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.16 31.42 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -127.27 174.95 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.99 32.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.84 -50.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.4 mt -68.12 108.48 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.428 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 32.9 Cg_exo -61.24 -32.2 90.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.491 2.127 . . . . 0.0 112.212 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.506 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 30.0 t90 -72.55 -40.89 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.523 HD13 ' HG2' ' A' ' 82' ' ' GLN . 56.7 mt -58.37 -48.73 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -30.93 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.68 -47.88 57.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.2 pt -76.69 -33.81 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.74 73.38 0.83 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.957 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.768 ' CG ' HD12 ' A' ' 11' ' ' ILE . 39.5 m80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.55 0.214 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 8' ' ' HIS . 41.5 Cg_endo -67.55 -18.44 48.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.397 2.064 . . . . 0.0 112.457 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -98.95 -40.71 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.768 HD12 ' CG ' ' A' ' 8' ' ' HIS . 27.0 mt -73.49 -40.51 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -31.63 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.17 -30.9 69.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 63' ' ' LEU . 25.7 mt -81.26 -47.09 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -64.28 -51.98 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -53.29 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -95.36 43.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.896 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.5 ttm180 -76.7 -60.1 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.62 -31.15 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.11 -45.3 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.635 HD22 HD11 ' A' ' 25' ' ' ILE . 16.0 mt -64.25 -31.51 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 18' ' ' ARG . 22.3 t -64.81 -30.87 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -86.78 -37.33 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -67.99 -58.41 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.635 HD11 HD22 ' A' ' 21' ' ' LEU . 11.4 mt -67.89 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -35.14 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.42 141.67 41.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.8 p -113.4 -34.59 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -30.0 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.6 -41.32 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.2 mt -78.19 -46.66 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 28' ' ' THR . 21.7 t -59.33 -39.62 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.49 -52.12 65.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -64.78 -45.76 84.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 31' ' ' LEU . 6.8 mt -60.16 -31.05 69.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.16 -35.55 55.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -34.08 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 2.5 m-80 -82.62 0.13 44.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.371 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t0 64.33 35.22 9.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 6.9 m-85 -94.15 -50.42 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CE1' HD22 ' A' ' 35' ' ' LEU . 3.3 m-85 -83.91 125.09 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -67.55 166.07 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -31.21 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.51 -37.94 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -69.18 -36.09 76.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.59 -29.31 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' ASP . 19.9 mt -71.24 -30.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -71.14 -52.67 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.52 -25.06 64.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.997 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.24 -28.74 55.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -59.26 138.22 88.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.39 -41.1 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.509 2.139 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.0 p -111.2 175.94 5.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.41 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.3 tp60 -75.03 -52.68 3.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.7 Cg_exo -50.36 -27.48 18.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.535 2.157 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -34.33 54.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -63.54 -34.15 77.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 22' ' ' VAL . 28.9 t -63.24 -45.93 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 63' ' ' LEU . 8.9 ttt180 -66.19 -29.67 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HD2' HG22 ' A' ' 48' ' ' ILE . 14.7 tppt? -73.19 -47.33 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.925 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.858 ' O ' HG23 ' A' ' 66' ' ' VAL . 6.9 mt -60.09 -41.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 60' ' ' ARG . 14.4 mt -62.12 -45.35 93.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.33 -42.3 98.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.34 -43.65 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.6 t -59.69 -30.78 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.78 -32.56 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -33.3 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 54.7 mttm -63.57 -48.3 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.19 176.17 14.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.97 -27.59 69.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -29.9 61.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.14 -30.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.444 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.4 t -60.67 -39.77 89.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.44 -43.47 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.17 -40.62 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.596 ' HA ' HD12 ' A' ' 80' ' ' LEU . 83.0 t80 -62.32 -53.22 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 74' ' ' SER . 0.5 OUTLIER -59.77 -30.94 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.59 -37.18 84.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 77' ' ' PHE . 9.2 mt -59.81 -36.73 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.726 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 86.0 mt -60.26 -31.08 69.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -44.91 50.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -72.11 -20.93 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.189 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.27 -24.99 12.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.348 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.65 -29.73 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.17 -47.63 7.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -60.7 146.83 44.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.4 m -102.22 -37.61 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.24 -33.72 63.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.7 104.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.449 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.5 ttp85 -177.81 -53.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 29.3 Cg_exo -61.7 -37.54 67.54 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.499 2.133 . . . . 0.0 112.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.413 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 29.1 t90 -62.12 -51.23 68.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.42 -52.74 62.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.26 -29.7 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -62.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 pt -58.89 -25.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.66 63.37 4.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.896 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.502 ' CG ' HD12 ' A' ' 11' ' ' ILE . 75.0 m-70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.632 0.253 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.66 -19.73 47.5 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.462 2.108 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -97.01 -39.98 9.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.502 HD12 ' CG ' ' A' ' 8' ' ' HIS . 29.1 mt -76.77 -33.83 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.98 -30.11 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.0 mt -58.65 -31.6 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 63' ' ' LEU . 6.6 mt -81.18 -45.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.37 -35.05 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -39.6 38.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.719 ' O ' HD12 ' A' ' 21' ' ' LEU . 38.4 m-80 -107.05 36.77 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.6 ttm105 -61.07 -52.41 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.4 -31.89 65.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.56 -31.11 65.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 17' ' ' ASN . 1.3 mt -72.98 -30.58 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 18' ' ' ARG . 29.9 t -73.59 -38.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -86.09 -58.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.447 HG12 HD11 ' A' ' 91' ' ' LEU . 34.5 mt -66.46 126.66 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.61 -36.81 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 116.2 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.75 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.3 p -102.04 -29.23 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -57.26 -43.59 83.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -42.07 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -37.62 79.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 28' ' ' THR . 30.5 t -74.25 -35.03 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.01 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.45 -40.86 93.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 41' ' ' PHE . 50.3 mt -64.86 -31.62 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.802 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.3 mt -75.34 -41.4 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -33.58 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 2.7 m-80 -78.16 -4.55 48.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.392 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.26 37.17 2.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -100.56 -48.78 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.808 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.2 m-85 -93.37 130.65 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 m -84.92 167.68 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.03 -31.71 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.18 -53.18 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.39 -29.22 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -30.21 70.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.04 -38.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.97 -50.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.81 -27.85 69.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.378 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.0 m -55.25 151.15 19.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.043 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.6 -44.71 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.467 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.6 p -116.78 -177.68 3.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.99 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' CB ' ' HD3' ' A' ' 56' ' ' PRO . 1.1 mp0 -75.35 -53.73 2.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 55' ' ' GLN . 65.0 Cg_exo -51.26 -27.87 24.56 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.493 2.129 . . . . 0.0 112.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -31.79 58.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -67.55 -35.32 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.731 ' HA ' HD12 ' A' ' 62' ' ' ILE . 31.3 t -61.0 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -29.66 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -72.75 -41.32 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 59' ' ' VAL . 7.7 mt -63.84 -41.06 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' HD22 ' A' ' 14' ' ' LEU . 35.7 mt -58.98 -45.46 90.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.36 -39.82 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.98 -56.49 14.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.8 t -59.41 -32.43 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -31.31 40.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.83 ' HD3' HG21 ' A' ' 73' ' ' VAL . 28.2 mttm -64.76 -70.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.18 -170.24 30.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.502 ' N ' HD11 ' A' ' 11' ' ' ILE . 10.7 mt-10 -64.36 -25.42 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -60.6 3.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' HD3' ' A' ' 69' ' ' LYS . 21.9 t -77.18 -33.38 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 78' ' ' LEU . 5.4 t -59.99 -30.78 69.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -73.94 -53.72 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.04 -39.64 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -59.67 -50.8 72.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 81' ' ' LEU . 7.2 mt -69.96 -30.89 68.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -60.3 -42.84 96.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.67 -36.53 76.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.747 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 48.6 mt -59.46 -26.74 65.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -83.08 -45.2 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -39.62 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.01 -21.09 43.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.89 -25.99 9.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.415 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.51 -29.66 62.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -113.99 37.65 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -129.31 152.4 48.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 m -111.06 -30.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.17 -39.18 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 81' ' ' LEU . 20.5 mt -99.93 125.82 45.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.409 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 1.1 mtt180 -179.79 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 68.7 Cg_endo -74.18 -25.03 14.08 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.554 2.169 . . . . 0.0 112.463 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -57.47 -51.74 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.77 -30.59 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.26 -30.19 48.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -40.1 40.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.0 pt -75.34 -37.67 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.11 66.52 1.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.869 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.79 ' CG ' HD12 ' A' ' 11' ' ' ILE . 46.8 m80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.557 0.218 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.63 -16.18 46.23 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.419 2.079 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.412 ' O ' HD11 ' A' ' 78' ' ' LEU . 55.5 m80 -95.23 -42.29 8.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.82 0.343 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.79 HD12 ' CG ' ' A' ' 8' ' ' HIS . 37.8 mt -74.46 -32.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -31.04 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.4 -31.53 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD22 HD23 ' A' ' 63' ' ' LEU . 4.5 mt -80.56 -47.38 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.633 ' HE3' HG22 ' A' ' 11' ' ' ILE . 45.9 mttt -59.41 -44.0 92.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -70.93 -52.97 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -93.18 48.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 ttm105 -79.06 -53.58 6.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.53 -30.92 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.67 -42.95 73.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.698 HD22 HD11 ' A' ' 25' ' ' ILE . 30.4 mt -62.06 -32.46 72.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 18' ' ' ARG . 28.7 t -66.35 -28.85 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -36.27 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -73.59 -52.7 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.698 HD11 HD22 ' A' ' 21' ' ' LEU . 34.0 mt -71.76 136.72 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -115.12 -38.43 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -100.19 135.51 41.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.573 HG22 HG22 ' A' ' 59' ' ' VAL . 44.3 p -114.29 -34.1 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.38 -30.73 65.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.46 -32.65 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -79.73 -31.93 41.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -83.82 -31.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -54.15 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.38 -45.61 92.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.828 HD13 ' CE1' ' A' ' 41' ' ' PHE . 81.4 mt -59.82 -30.89 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.31 -42.15 55.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -29.81 68.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.0 0.1 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.44 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 67.38 32.61 5.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.47 -44.09 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.828 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.7 m-85 -94.92 168.05 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -133.42 170.14 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.18 -33.56 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.6 -46.75 71.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.527 ' CG ' HD22 ' A' ' 65' ' ' LEU . 6.9 m-20 -69.4 -36.32 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.61 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -60.83 -29.96 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 45' ' ' ASP . 21.5 mt -74.94 -43.62 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.39 -57.58 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -59.97 -29.68 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.4 -22.61 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.376 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.1 m -55.31 144.74 50.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.02 -37.53 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.8 p -123.36 -177.01 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -76.6 -52.36 2.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.2 Cg_exo -50.24 -27.95 19.01 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.565 2.177 . . . . 0.0 112.363 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -36.06 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HB2' HG21 ' A' ' 28' ' ' THR . 9.8 mttp -64.27 -44.86 90.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG22 HG22 ' A' ' 28' ' ' THR . 23.9 t -59.47 -31.0 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.58 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.37 -28.75 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -78.3 -42.22 31.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.3 mt -59.16 -29.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 60' ' ' ARG . 8.7 mt -75.23 -40.71 58.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -31.18 71.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 45' ' ' ASP . 34.3 mt -72.94 -52.87 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.748 HG13 HG12 ' A' ' 73' ' ' VAL . 30.8 t -60.48 -30.56 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -72.28 -31.12 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -31.37 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.662 ' CD ' HG21 ' A' ' 73' ' ' VAL . 22.9 mttt -66.42 -70.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.12 -165.77 31.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.561 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG3' ' CD2' ' A' ' 8' ' ' HIS . 0.8 OUTLIER -69.73 -28.0 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.715 0.293 . . . . 0.0 111.029 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.13 -29.96 61.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.748 HG12 HG13 ' A' ' 66' ' ' VAL . 25.7 t -106.06 -30.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 78' ' ' LEU . 23.2 t -57.93 -36.24 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.84 -46.64 43.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 80' ' ' LEU . 51.0 t80 -63.45 -39.74 95.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.525 ' HD1' HD11 ' A' ' 35' ' ' LEU . 56.3 t80 -66.06 -37.47 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.682 ' HA ' HD12 ' A' ' 81' ' ' LEU . 1.4 mt -77.99 -31.21 50.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.46 -35.94 78.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 76' ' ' PHE . 50.5 mt -60.35 -42.27 95.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 78' ' ' LEU . 5.1 mt -59.86 -30.02 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -50.78 29.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -69.07 -48.32 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.93 -13.13 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.345 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.44 -27.79 26.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -30.57 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.27 34.65 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.55 145.41 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.75 -52.33 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.19 -31.29 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.514 HD11 HG12 ' A' ' 25' ' ' ILE . 68.5 mt -95.19 125.16 39.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 6.3 mtt180 -179.77 -60.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.501 ' HA ' HD12 ' A' ' 96' ' ' LEU . 69.7 Cg_endo -74.61 -26.59 11.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.559 2.173 . . . . 0.0 112.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.445 ' CH2' HD21 ' A' ' 21' ' ' LEU . 27.8 t90 -59.24 -36.58 75.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.52 -31.42 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 93' ' ' PRO . 5.7 mt -80.2 -31.08 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -74.05 -41.07 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.2 pt -69.98 -32.55 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.59 54.99 2.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.454 ' CG ' HD12 ' A' ' 11' ' ' ILE . 67.7 m80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.584 0.23 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.93 -22.28 73.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.561 2.174 . . . . 0.0 112.479 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -94.18 -51.53 4.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.454 HD12 ' CG ' ' A' ' 8' ' ' HIS . 33.8 mt -64.36 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -76.48 -33.79 58.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 mt -60.2 -32.33 70.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.62 -49.13 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -59.83 -56.06 26.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.21 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -102.67 51.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.0 ttm180 -81.03 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -59.98 -31.17 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.25 -35.95 80.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.036 HD22 HD11 ' A' ' 25' ' ' ILE . 9.6 mt -71.32 -34.72 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -69.46 -29.19 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 m -81.42 -30.16 33.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -88.2 -56.58 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.036 HD11 HD22 ' A' ' 21' ' ' LEU . 45.6 mt -62.07 153.51 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.044 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' N ' HG22 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -136.6 -47.22 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -89.8 124.73 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.564 ' HB ' HD11 ' A' ' 62' ' ' ILE . 66.0 p -110.8 -29.63 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -30.37 64.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.011 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.28 -36.82 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 35' ' ' LEU . 13.9 mt -67.5 -38.92 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.94 -35.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.77 29.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -64.0 -32.91 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.603 HD11 ' HD1' ' A' ' 77' ' ' PHE . 20.9 mt -72.4 -33.28 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.31 -32.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -75.76 -31.32 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 4.6 m-80 -82.34 0.02 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.367 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t0 66.49 31.81 7.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 18.5 m-85 -98.28 -32.8 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.7 m-85 -113.99 151.92 31.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -118.14 169.03 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.44 69.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.35 -51.49 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.776 ' OD1' HD22 ' A' ' 65' ' ' LEU . 32.8 m-20 -63.95 -46.81 83.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.75 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -72.89 -41.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.5 t -59.44 -55.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.77 -29.22 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.0 49.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.381 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.2 m -55.08 148.03 31.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.87 -36.11 2.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.628 2.219 . . . . 0.0 112.367 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.4 p -124.7 -177.11 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.1 tp60 -75.6 -52.15 2.93 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.2 Cg_exo -49.94 -28.97 19.86 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.6 2.2 . . . . 0.0 112.382 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.31 -30.9 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -70.09 -39.36 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.9 t -61.56 -42.75 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -39.82 89.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -61.0 -43.21 99.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 59' ' ' VAL . 8.3 mt -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.983 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.524 HD21 HD13 ' A' ' 21' ' ' LEU . 66.1 mt -60.18 -45.31 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.3 -36.93 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.776 HD22 ' OD1' ' A' ' 45' ' ' ASP . 90.1 mt -67.25 -51.77 48.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 62' ' ' ILE . 22.0 t -59.4 -41.22 83.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -62.57 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -33.18 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.59 ' CD ' HG21 ' A' ' 73' ' ' VAL . 66.2 mttm -66.35 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.78 -169.3 29.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.549 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.8 -26.69 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -56.13 -33.84 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.59 HG21 ' CD ' ' A' ' 69' ' ' LYS . 21.5 t -102.74 -32.23 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -60.11 -37.62 80.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -63.66 -50.16 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.59 -42.48 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.603 ' HD1' HD11 ' A' ' 35' ' ' LEU . 53.0 t80 -60.84 -42.97 98.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' A' ' 81' ' ' LEU . 1.8 mt -73.49 -30.15 62.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.3 -40.45 97.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 mt -63.93 -32.64 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 78' ' ' LEU . 38.9 mt -60.18 -30.37 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -41.52 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -76.76 -31.0 56.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.9 -18.0 31.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.02 -29.19 28.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.87 -41.44 62.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -30.81 69.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -81.15 153.2 27.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 89' ' ' VAL . 15.6 t -110.13 29.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.6 -48.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.77 HD11 HG12 ' A' ' 25' ' ' ILE . 24.4 mt -70.51 116.38 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.447 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.4 ttt180 -177.56 -53.23 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.5 Cg_exo -62.59 -29.4 78.03 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.443 2.096 . . . . 0.0 112.215 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -73.67 -64.48 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.09 -32.4 61.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.09 -29.88 62.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.31 -53.28 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 pt -59.37 -29.89 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.9 53.18 9.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.2 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.737 ' CG ' HD12 ' A' ' 11' ' ' ILE . 29.4 m170 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.638 0.256 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.41 -22.04 39.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.583 2.189 . . . . 0.0 112.431 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -93.52 -37.76 11.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.004 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.737 HD12 ' CG ' ' A' ' 8' ' ' HIS . 27.9 mt -73.36 -32.38 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -39.19 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.22 -31.5 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 63' ' ' LEU . 61.7 mt -73.98 -45.01 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -70.89 -52.56 19.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -60.35 -36.47 78.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -115.22 40.33 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 21.2 ttm180 -73.87 -53.84 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -33.6 72.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 19.1 tp -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.69 HD22 HD11 ' A' ' 25' ' ' ILE . 13.8 mt -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.4 t -66.81 -31.26 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.2 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 m -88.61 -35.7 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.5 m-70 -74.21 -51.49 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 21' ' ' LEU . 46.5 mt -70.76 133.94 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.078 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.01 -49.76 2.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -95.61 122.05 37.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.85 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.2 p -96.4 -27.66 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -56.16 -36.88 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.71 -52.16 66.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 35' ' ' LEU . 3.3 mt -65.1 -31.5 72.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 28' ' ' THR . 28.0 t -75.95 -39.23 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.22 -48.71 77.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -65.52 -45.16 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.533 HD11 ' CD1' ' A' ' 77' ' ' PHE . 40.6 mt -59.9 -40.14 87.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -68.75 -41.91 78.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -60.47 -34.08 73.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.88 0.23 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.401 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.89 37.89 11.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -96.38 -50.54 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.517 ' CZ ' HG23 ' A' ' 62' ' ' ILE . 2.4 m-85 -87.26 119.91 27.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 m -67.72 178.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -37.1 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -45.26 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.7 m-20 -56.94 -48.34 78.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.49 67.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.261 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -39.86 68.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.87 -41.42 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.6 t -61.12 -59.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.67 -28.17 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.32 -22.47 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.8 m -55.15 156.08 7.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.54 -40.01 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.635 2.223 . . . . 0.0 112.467 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.2 p -128.29 -177.44 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.016 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.55 -53.29 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 76.5 Cg_exo -49.64 -26.83 13.6 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.473 2.115 . . . . 0.0 112.435 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.02 -34.12 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -67.31 -34.78 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.29 -50.35 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.557 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -65.81 -32.18 73.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -65.32 -45.31 84.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.517 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 8.0 mt -63.25 -43.75 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD23 HD22 ' A' ' 14' ' ' LEU . 8.4 mt -60.13 -37.88 81.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.08 -40.28 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.48 -55.2 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.8 t -57.46 -36.18 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.84 -29.66 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 t -85.63 -32.89 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HD2' HG11 ' A' ' 73' ' ' VAL . 31.2 mttm -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.69 -168.13 36.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.576 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -76.26 -28.0 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.438 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.9 t -92.38 -36.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.417 ' O ' HD12 ' A' ' 78' ' ' LEU . 28.9 t -60.16 -39.86 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.2 -44.98 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -66.82 -34.88 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.533 ' CD1' HD11 ' A' ' 35' ' ' LEU . 59.8 t80 -66.33 -49.06 68.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 74' ' ' SER . 0.4 OUTLIER -65.8 -31.03 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.3 -36.38 83.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -58.25 -27.05 63.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.999 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -80.81 -40.36 25.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -44.25 56.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.32 -18.86 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.26 -26.94 8.01 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.79 0.328 . . . . 0.0 111.427 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.37 -30.96 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -46.46 8.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.96 139.1 58.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.32 30.17 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 -57.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.42 114.62 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 3.7 ttt180 -168.28 -56.21 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 24.1 Cg_exo -63.34 -31.41 73.14 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.391 2.06 . . . . 0.0 111.959 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -72.57 -43.85 62.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.4 mt -58.96 -47.28 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.23 -31.43 69.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.44 -54.17 47.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.6 pt -75.89 -33.94 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.36 91.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 2.1 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.6 ' CG ' HD12 ' A' ' 11' ' ' ILE . 26.6 m80 . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.687 0.279 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.46 -22.94 17.61 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.629 2.219 . . . . 0.0 112.713 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -93.7 -42.59 9.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.288 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.6 HD12 ' CG ' ' A' ' 8' ' ' HIS . 33.4 mt -70.87 -41.6 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.31 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -31.56 66.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 98' ' ' ILE . 62.2 mt -64.15 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.2 mt -81.16 -42.72 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -66.23 -53.62 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -44.86 95.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -101.08 36.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.699 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -74.14 -40.62 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -72.81 -32.79 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.48 -31.33 62.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 25' ' ' ILE . 19.0 mt -71.02 -31.26 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.0 t -76.49 -29.6 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -30.38 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -90.16 -58.33 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.779 HD11 HD22 ' A' ' 21' ' ' LEU . 43.5 mt -61.18 115.4 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -40.3 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -96.03 129.68 43.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 32' ' ' VAL . 36.0 p -107.31 -30.11 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.007 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.38 -30.5 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -41.41 93.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.82 -44.65 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 28' ' ' THR . 28.1 t -63.77 -40.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.019 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.46 -55.93 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -59.65 -44.53 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD11 ' HD1' ' A' ' 77' ' ' PHE . 6.2 mt -59.91 -30.73 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.98 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -66.47 -39.85 89.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.48 0.12 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.424 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.37 37.44 6.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -92.27 -34.23 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -108.38 123.52 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 m -77.42 167.13 22.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.52 72.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.44 -34.92 61.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.622 ' HA ' HD12 ' A' ' 48' ' ' ILE . 59.9 m-20 -68.4 -46.95 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -29.54 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.241 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.39 -38.04 86.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.7 mt -66.74 -42.59 89.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG11 ' CG1' ' A' ' 62' ' ' ILE . 22.0 t -65.09 -55.18 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -30.21 68.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.4 -23.31 56.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.5 m -55.2 144.24 51.26 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.77 -43.26 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.532 2.154 . . . . 0.0 112.381 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.1 p -109.28 173.21 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.01 -52.91 5.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 66.4 Cg_exo -50.88 -28.47 23.77 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.157 . . . . 0.0 112.325 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.28 -32.61 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -67.39 -41.0 85.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 62' ' ' ILE . 29.2 t -62.25 -42.43 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -66.31 -30.33 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppm? -73.35 -43.71 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.756 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.6 mt -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.2 -40.16 95.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.44 -46.44 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 62' ' ' ILE . 33.8 t -60.63 -36.14 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.04 -32.96 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 m -78.95 -32.01 45.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.714 ' HD2' HG11 ' A' ' 73' ' ' VAL . 51.5 mttm -60.27 -70.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.47 -177.8 36.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.615 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.15 -28.88 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -47.29 84.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.714 HG11 ' HD2' ' A' ' 69' ' ' LYS . 19.7 t -78.48 -30.29 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.446 ' O ' HD12 ' A' ' 78' ' ' LEU . 8.2 t -61.96 -33.63 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -73.49 -46.94 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.545 ' CE2' HD11 ' A' ' 80' ' ' LEU . 71.4 t80 -61.21 -39.63 90.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.466 ' HD1' HD11 ' A' ' 35' ' ' LEU . 64.3 t80 -63.83 -38.85 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -75.95 -29.95 58.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.52 -44.49 94.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.545 HD11 ' CE2' ' A' ' 76' ' ' PHE . 11.6 mt -60.04 -33.33 71.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.657 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 80.9 mt -58.73 -28.94 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.526 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.91 -56.78 3.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -58.48 -30.67 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.47 -11.99 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -49.87 -27.12 4.73 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.786 0.327 . . . . 0.0 111.527 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -29.01 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.12 54.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -85.89 -51.1 6.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 89' ' ' VAL . 15.9 t 65.62 15.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.273 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.42 -28.9 6.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 111.061 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.485 HD11 HG12 ' A' ' 25' ' ' ILE . 4.3 mt -96.41 26.19 4.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -82.55 -52.54 0.68 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.734 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 92' ' ' ARG . 53.0 Cg_exo -54.58 -29.97 63.09 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.492 2.128 . . . . 0.0 112.062 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.428 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 23.1 t90 -71.32 -36.33 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.818 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.526 HD13 ' HG2' ' A' ' 82' ' ' GLN . 27.6 mt -66.83 -51.48 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.81 -31.37 70.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -66.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.579 HG21 HD22 ' A' ' 13' ' ' LEU . 39.4 pt -65.2 -30.86 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.52 63.74 1.99 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 15.8 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.466 ' CG ' HD12 ' A' ' 11' ' ' ILE . 35.5 m80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.77 -25.76 21.79 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.605 2.203 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -82.72 -45.75 14.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.466 HD12 ' CG ' ' A' ' 8' ' ' HIS . 28.3 mt -73.09 -34.64 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 13' ' ' LEU . 12.4 mt -60.06 -41.13 91.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.69 ' HB3' HD22 ' A' ' 63' ' ' LEU . 46.7 mt -70.71 -47.06 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -63.22 -35.89 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -76.44 -46.99 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -97.54 38.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.812 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.7 ttm180 -74.16 -48.2 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -64.24 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 tp -80.24 -33.28 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.954 HD22 HD11 ' A' ' 25' ' ' ILE . 13.5 mt -68.16 -32.31 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.3 t -67.35 -29.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -84.43 -50.65 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.048 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -62.3 -57.18 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.954 HD11 HD22 ' A' ' 21' ' ' LEU . 37.8 mt -62.33 133.31 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -121.31 -54.65 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -93.01 125.15 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' VAL . 81.6 p -102.03 -25.65 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -55.74 -35.67 66.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -50.01 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.78 -31.5 72.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' THR . 25.0 t -76.58 -39.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.712 HD13 ' CE1' ' A' ' 41' ' ' PHE . 19.9 mt -59.96 -31.45 69.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.4 -42.49 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -32.85 73.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.442 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.1 m-80 -83.3 0.06 47.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.392 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.95 38.36 6.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 11.1 m-85 -99.17 -60.2 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.712 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.8 m-85 -75.96 126.05 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -70.84 168.2 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.47 80.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -71.14 -38.01 72.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.607 ' OD1' HD22 ' A' ' 65' ' ' LEU . 59.4 m-20 -59.06 -45.18 91.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.56 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.41 -31.48 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.423 HG22 ' CG ' ' A' ' 61' ' ' LYS . 44.6 mt -72.21 -36.09 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.4 t -71.13 -40.62 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.7 m -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.02 -24.72 40.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.393 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.57 146.98 52.75 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.94 -41.8 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.592 2.195 . . . . 0.0 112.381 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.1 p -118.39 -177.41 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -74.68 -53.13 3.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 75.3 Cg_exo -49.53 -35.89 38.32 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.59 2.194 . . . . 0.0 112.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -34.19 77.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -61.34 -50.34 73.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 t -54.05 -30.63 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -31.27 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CG ' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -78.1 -45.45 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 67.5 mt -55.16 -39.55 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.69 HD22 ' HB3' ' A' ' 14' ' ' LEU . 92.1 mt -65.52 -41.0 93.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.607 HD22 ' OD1' ' A' ' 45' ' ' ASP . 72.5 mt -62.25 -59.05 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.756 HG13 HG12 ' A' ' 73' ' ' VAL . 26.0 t -59.94 -40.08 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.06 -34.28 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -32.95 56.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.498 ' HD2' HG11 ' A' ' 73' ' ' VAL . 38.0 mttm -60.49 -75.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.49 -162.93 34.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.29 -28.71 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.74 -30.47 65.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.756 HG12 HG13 ' A' ' 66' ' ' VAL . 21.5 t -104.67 -32.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -63.54 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -77.25 -49.43 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.6 -43.22 93.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 35' ' ' LEU . 45.3 t80 -59.67 -52.21 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.815 ' HA ' HD12 ' A' ' 81' ' ' LEU . 6.6 mt -63.86 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.53 -38.13 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 77' ' ' PHE . 6.8 mt -60.15 -35.13 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 78' ' ' LEU . 6.0 mt -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -50.19 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.64 -12.42 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.415 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -52.68 -29.62 27.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 111.326 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.84 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -78.68 155.82 29.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.02 -37.4 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.48 -58.74 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.83 115.35 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.443 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.7 mmm-85 -177.28 -53.06 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.443 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 17.8 Cg_exo -66.29 -32.0 42.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 0.0 112.083 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.478 ' HZ3' HD13 ' A' ' 81' ' ' LEU . 25.8 t90 -59.27 -45.78 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.08 -49.5 71.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.5 -29.62 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.25 -52.25 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -73.37 -37.68 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.46 77.17 1.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.981 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -130.52 165.38 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.48 154.73 27.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.34 -166.62 21.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -107.88 -177.28 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.96 170.09 8.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.21 -101.96 0.64 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.517 ' CG ' HD12 ' A' ' 11' ' ' ILE . 14.4 m80 60.57 77.72 0.36 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -24.01 39.98 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.59 2.193 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -91.3 -42.6 10.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.209 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.622 HG22 ' CE ' ' A' ' 15' ' ' LYS . 28.8 mt -70.58 -37.98 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.36 -34.99 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.37 -31.51 72.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.58 -41.05 47.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' CE ' HG22 ' A' ' 11' ' ' ILE . 8.6 mttm -71.42 -45.59 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -100.83 31.41 3.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.803 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.5 ttm180 -67.06 -30.79 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.54 -30.19 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD11 ' NE2' ' A' ' 24' ' ' HIS . 6.2 tp -79.5 -37.02 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.055 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.468 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 25.5 mt -64.29 -32.07 73.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 18' ' ' ARG . 29.7 t -73.65 -24.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -92.32 -29.25 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.411 ' NE2' HD11 ' A' ' 20' ' ' LEU . 1.7 m-70 -86.93 -52.47 5.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.031 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.458 HD11 HD22 ' A' ' 21' ' ' LEU . 41.5 mt -66.78 142.4 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -130.93 -46.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.05 114.56 20.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.9 p -105.82 -33.83 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -38.37 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.6 -41.13 98.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.651 HD22 ' CE1' ' A' ' 77' ' ' PHE . 10.2 mt -63.18 -31.79 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.609 HG12 ' CD1' ' A' ' 36' ' ' LEU . 21.6 t -81.44 -40.24 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -60.32 -37.32 80.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -77.43 -35.29 54.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.618 HD13 ' CE1' ' A' ' 41' ' ' PHE . 26.7 mt -74.88 -31.66 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.609 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.1 mt -67.23 -41.88 84.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -71.77 -30.99 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -82.57 0.07 44.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.329 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 65.02 52.99 1.44 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -119.5 -42.03 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 35' ' ' LEU . 5.0 m-85 -107.6 123.13 48.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -82.44 172.47 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.96 73.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -73.14 -52.43 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.49 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.197 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.94 -31.11 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mt -75.15 -41.47 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.2 t -61.06 -57.25 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.02 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.99 -30.7 69.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.29 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 m -54.7 150.54 17.79 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.013 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.32 -36.17 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.624 2.216 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.5 p -135.21 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -70.25 -52.34 12.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -48.93 -27.02 10.89 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.458 2.105 . . . . 0.0 112.301 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.42 -35.08 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.09 -47.01 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -65.53 -33.63 76.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -67.92 -45.87 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.7 mt -62.96 -43.05 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 60' ' ' ARG . 25.6 mt -58.86 -42.94 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.1 -34.48 78.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.8 mt -68.07 -52.46 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.7 t -56.67 -39.6 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.76 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -34.67 64.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.609 ' HD2' HG11 ' A' ' 73' ' ' VAL . 19.2 mttm -65.84 -65.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.23 -169.94 30.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.61 -26.42 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.324 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.45 -47.41 79.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.609 HG11 ' HD2' ' A' ' 69' ' ' LYS . 29.4 t -85.62 -33.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.433 ' O ' HD12 ' A' ' 78' ' ' LEU . 2.8 t -60.64 -34.2 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.35 -38.01 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CE2' HD11 ' A' ' 80' ' ' LEU . 67.8 t80 -75.94 -42.84 47.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.651 ' CE1' HD22 ' A' ' 31' ' ' LEU . 61.0 t80 -60.84 -42.46 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 74' ' ' SER . 1.0 OUTLIER -71.09 -30.46 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.54 -41.22 93.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 76' ' ' PHE . 10.3 mt -59.38 -30.21 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 26.0 mt -65.45 -28.69 69.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -82.87 -59.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.054 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.9 mt -91.32 -22.27 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -49.1 -28.31 4.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -29.49 67.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.69 39.19 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.43 ' CD2' HD12 ' A' ' 91' ' ' LEU . 3.7 m-85 -130.0 172.06 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 90' ' ' ASP . 25.4 m -124.7 -44.81 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 89' ' ' VAL . 3.6 t0 -76.8 -31.38 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 88' ' ' TYR . 32.3 mt -96.2 117.57 31.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.417 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.36 -61.42 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HA ' HD12 ' A' ' 96' ' ' LEU . 40.8 Cg_endo -67.11 -26.37 42.86 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.401 2.067 . . . . 0.0 112.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.468 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 26.2 t90 -65.82 -52.79 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.19 -33.83 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 93' ' ' PRO . 10.6 mt -69.26 -29.37 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.35 -48.56 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.6 pt -74.39 -34.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.68 89.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 10.3 t80 -85.76 -53.29 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 t -86.2 163.42 17.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 m -157.55 158.92 36.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.35 147.16 5.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.48 -174.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.566 2.177 . . . . 0.0 112.249 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 m -134.59 31.3 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.9 m -94.16 -179.87 5.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.513 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -114.73 -41.06 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -110.33 -63.37 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.54 105.34 1.13 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p 58.77 174.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.9 155.47 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.47 122.87 5.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.663 ' ND1' HD12 ' A' ' 11' ' ' ILE . 26.3 m80 -97.21 109.15 48.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.488 0.185 . . . . 0.0 110.792 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.21 -23.18 22.11 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.483 2.122 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -89.18 -42.12 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.663 HD12 ' ND1' ' A' ' 8' ' ' HIS . 25.0 mt -75.59 -41.29 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.17 -37.86 75.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.4 -31.13 71.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD22 ' CD2' ' A' ' 63' ' ' LEU . 72.4 mt -80.4 -39.94 27.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -68.76 -33.35 73.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -81.67 -45.37 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.53 45.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -79.2 -50.95 10.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.49 -30.23 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.38 -34.29 67.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 25' ' ' ILE . 18.2 mt -72.82 -30.64 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.0 t -68.23 -30.0 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.244 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -86.23 -27.11 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -85.02 -48.98 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 21' ' ' LEU . 41.1 mt -70.1 131.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -105.8 -54.24 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.48 129.24 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 59' ' ' VAL . 40.5 p -112.26 -34.41 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -34.66 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.93 -44.78 96.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 77' ' ' PHE . 17.5 mt -64.0 -43.42 95.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -66.64 -33.47 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.58 -52.06 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -64.18 -37.09 86.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 41' ' ' PHE . 42.4 mt -67.53 -31.45 71.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.63 -39.57 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -34.33 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.415 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 8.1 m-80 -82.58 0.08 44.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.55 38.16 4.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 8.5 m-85 -98.85 -43.56 6.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.7 m-85 -93.26 168.06 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.34 170.62 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.04 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.32 -44.68 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.781 ' OD1' HD22 ' A' ' 65' ' ' LEU . 33.5 m-20 -62.15 -49.44 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.02 -30.07 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 2.3 tt0 -66.85 -33.68 76.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.403 HG21 ' HD2' ' A' ' 61' ' ' LYS . 21.6 mt -74.09 -39.12 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.9 -63.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -58.36 -28.61 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.19 -23.7 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.354 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.2 m -55.41 148.74 31.47 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.575 2.183 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.8 p -122.07 178.17 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -53.64 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.48 -27.85 19.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.538 2.159 . . . . 0.0 112.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -33.34 64.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -65.36 -34.22 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG11 ' HA ' ' A' ' 22' ' ' VAL . 27.8 t -63.01 -36.58 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HA ' HD12 ' A' ' 63' ' ' LEU . 3.4 ttt180 -72.7 -30.99 64.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HD2' HG21 ' A' ' 48' ' ' ILE . 2.4 tppm? -73.31 -42.1 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.768 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.4 mt -66.52 -30.34 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.55 ' CD2' HD22 ' A' ' 14' ' ' LEU . 17.2 mt -73.45 -43.77 59.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.98 -37.23 86.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD22 ' OD1' ' A' ' 45' ' ' ASP . 85.2 mt -70.13 -55.62 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.887 HG13 HG12 ' A' ' 73' ' ' VAL . 27.0 t -59.51 -31.59 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -74.96 -39.61 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -66.31 -34.04 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.646 ' HD3' HG21 ' A' ' 73' ' ' VAL . 31.8 mttm -60.75 -75.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.07 -163.4 36.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' CD2' ' A' ' 8' ' ' HIS . 6.0 mt-10 -74.42 -27.77 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -40.74 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.978 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.887 HG12 HG13 ' A' ' 66' ' ' VAL . 21.6 t -94.84 -30.82 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 78' ' ' LEU . 12.7 t -60.71 -38.8 86.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -68.54 -46.28 69.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -60.56 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.444 ' CE1' HD22 ' A' ' 31' ' ' LEU . 44.3 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 74' ' ' SER . 1.1 mt -76.33 -31.3 58.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.3 -38.63 90.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.72 -33.45 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -59.94 -31.02 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.628 ' HG3' HD22 ' A' ' 95' ' ' LEU . 11.3 mt-30 -80.12 -40.75 26.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -45.98 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mt -71.72 -19.75 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.13 -25.98 10.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.4 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.99 -50.48 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.18 -36.01 27.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -62.54 -177.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 90' ' ' ASP . 15.2 m -145.15 -46.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 89' ' ' VAL . 62.6 m-20 -58.62 -29.9 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 HG12 ' A' ' 25' ' ' ILE . 17.9 mt -103.82 125.34 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 3.6 mtp180 179.9 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 48.6 Cg_endo -69.09 -26.69 30.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.403 2.069 . . . . 0.0 112.378 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.628 HD22 ' HG3' ' A' ' 82' ' ' GLN . 15.9 mt -69.36 -46.07 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.75 -30.83 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.37 -56.78 4.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -61.58 -33.07 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.63 73.53 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.425 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.61 122.08 43.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.1 m 59.98 40.28 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.7 t -107.34 110.2 22.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 160.59 -99.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.63 -25.27 15.05 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.545 2.164 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -57.41 130.59 46.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 t -94.64 152.57 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.486 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -147.8 78.37 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.19 113.05 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.73 168.99 25.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.529 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.44 125.07 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.25 103.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.34 -65.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.578 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.468 ' CG ' HD12 ' A' ' 11' ' ' ILE . 22.6 m80 60.13 77.47 0.38 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.694 0.283 . . . . 0.0 110.815 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 -23.84 19.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.513 2.142 . . . . 0.0 112.484 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -90.2 -43.92 10.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.785 HG22 ' HE3' ' A' ' 15' ' ' LYS . 27.6 mt -72.67 -36.23 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.07 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.5 mt -80.36 -45.17 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.785 ' HE3' HG22 ' A' ' 11' ' ' ILE . 21.0 mttt -60.11 -48.33 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -41.22 76.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -105.4 40.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 ttm180 -72.48 -59.42 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.49 -31.4 70.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.9 tp -66.87 -32.71 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.636 HD22 HD11 ' A' ' 25' ' ' ILE . 44.0 mt -78.46 -31.29 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 18' ' ' ARG . 26.7 t -63.19 -30.16 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -93.4 -35.34 13.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.416 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.9 m-70 -69.67 -57.92 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.636 HD11 HD22 ' A' ' 21' ' ' LEU . 38.9 mt -73.84 123.22 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -33.49 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -98.87 110.8 23.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -98.54 -30.73 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -57.75 -38.86 76.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -38.64 82.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -50.24 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.23 -38.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.57 81.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -67.71 -42.46 81.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.13 -37.0 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.3 mt -71.6 -45.56 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -61.41 -37.75 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -82.46 0.15 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.406 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.19 61.01 0.93 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.001 0.429 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -119.35 -48.2 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -93.31 -177.92 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -134.08 167.18 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.13 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.172 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -67.89 -41.56 82.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.586 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.2 m-20 -63.51 -51.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.76 71.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -41.19 92.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.1 mt -66.88 -37.46 79.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.5 t -59.54 -55.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.35 -23.13 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.5 m -54.76 147.81 29.72 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.85 -43.88 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.406 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.6 p -115.69 -176.75 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -77.36 -53.32 1.64 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 74.7 Cg_exo -50.44 -30.13 26.38 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.566 2.177 . . . . 0.0 112.362 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -35.32 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -64.3 -44.45 91.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.535 HG11 ' HA ' ' A' ' 22' ' ' VAL . 14.4 t -61.26 -30.84 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.31 -34.04 55.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -68.04 -39.26 83.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.05 -47.09 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.31 -37.19 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.74 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.52 HD22 ' OD2' ' A' ' 45' ' ' ASP . 52.1 mt -68.61 -55.03 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 73' ' ' VAL . 38.2 t -58.49 -38.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.63 ' HG2' HG23 ' A' ' 11' ' ' ILE . 58.7 mt-30 -63.21 -30.15 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 m -87.25 -30.88 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.71 ' HD2' HG11 ' A' ' 73' ' ' VAL . 58.4 mttm -59.7 -49.5 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.73 176.44 18.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.517 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.36 -29.17 69.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.706 0.289 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.82 -56.97 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.71 HG11 ' HD2' ' A' ' 69' ' ' LYS . 16.8 t -66.4 -30.82 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.3 t -60.94 -47.88 84.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.99 -43.05 99.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 80' ' ' LEU . 58.9 t80 -65.08 -37.02 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -69.18 -31.65 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 81' ' ' LEU . 16.3 mt -85.91 -30.4 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -39.45 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 76' ' ' PHE . 6.7 mt -68.09 -30.88 70.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.765 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 36.0 mt -59.27 -29.4 67.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.561 ' HA ' HD13 ' A' ' 95' ' ' LEU . 10.8 tt0 -78.44 -45.93 21.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.067 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -49.32 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.8 mt -74.58 -15.49 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -50.58 -27.65 7.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.78 0.324 . . . . 0.0 111.406 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -31.95 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.91 -35.43 24.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -79.08 161.05 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.86 27.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.44 -38.7 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.033 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 25' ' ' ILE . 1.4 mt -96.37 31.31 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.442 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.34 -52.13 5.38 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 94.7 Cg_endo -80.35 -25.29 4.83 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.604 2.203 . . . . 0.0 112.384 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -57.36 -61.57 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 82' ' ' GLN . 6.3 mt -56.91 -34.42 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.38 -30.62 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.58 -68.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 99' ' ' GLY . 18.3 pt -59.26 -29.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 98' ' ' ILE . . . 59.45 91.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.566 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -83.66 -38.13 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.31 -174.61 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.12 121.14 27.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.78 94.88 0.56 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.508 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.27 -46.11 2.34 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.419 2.079 . . . . 0.0 112.361 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.1 31.19 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.2 t -134.0 87.3 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.512 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -72.12 137.79 47.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -99.48 -59.51 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.78 -173.99 47.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 p -152.95 152.4 31.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -132.97 144.52 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.12 101.61 2.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.564 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.5 ' CG ' HD12 ' A' ' 11' ' ' ILE . 75.2 m80 -67.99 114.2 19.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.453 0.168 . . . . 0.0 110.788 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.59 -27.14 32.99 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.404 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -83.31 -43.69 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.5 HD12 ' CG ' ' A' ' 8' ' ' HIS . 28.0 mt -73.36 -39.0 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.84 -30.59 69.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt -59.96 -31.46 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 63' ' ' LEU . 37.3 mt -81.16 -42.7 20.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' HE3' HG22 ' A' ' 11' ' ' ILE . 57.9 mttt -61.53 -47.08 87.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -69.57 -38.19 77.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -107.99 38.41 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.0 ttm-85 -71.02 -56.01 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.51 -30.7 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.05 -43.67 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 25' ' ' ILE . 13.0 mt -59.35 -31.86 69.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -60.86 -30.4 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 m -85.72 -37.38 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -71.79 -47.82 50.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 21' ' ' LEU . 33.4 mt -75.57 120.79 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -104.81 -39.57 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -98.01 130.74 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 21.4 p -110.21 -31.81 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -31.67 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -65.49 -39.01 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.32 -43.99 65.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 28' ' ' THR . 31.0 t -68.03 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.44 -51.53 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -67.45 -44.22 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.666 HD13 ' CE1' ' A' ' 41' ' ' PHE . 35.9 mt -59.39 -31.99 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.25 -45.78 53.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -66.03 -33.65 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -82.01 0.13 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.42 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 62.96 44.67 5.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -107.69 -37.02 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.666 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.6 m-85 -105.36 133.95 49.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -77.28 163.82 26.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.33 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -37.98 81.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.628 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.6 m-20 -59.33 -49.18 78.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.73 -30.44 64.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 45' ' ' ASP . 17.5 mt -74.86 -32.14 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.95 -47.9 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -26.79 68.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -26.47 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.353 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.0 147.15 65.78 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.35 -37.36 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.593 2.195 . . . . 0.0 112.537 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.3 p -127.43 -177.77 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.52 -53.65 5.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 79.9 Cg_exo -47.81 -27.46 8.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.594 2.196 . . . . 0.0 112.347 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.52 -31.73 29.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -67.09 -44.55 79.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.652 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.5 t -58.36 -33.9 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.25 -37.64 71.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -66.54 -35.74 80.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 59' ' ' VAL . 14.0 mt -69.24 -46.51 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 14' ' ' LEU . 9.2 mt -58.62 -40.54 83.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.43 -36.7 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.6 -56.87 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.508 HG13 HG12 ' A' ' 73' ' ' VAL . 34.7 t -58.37 -31.93 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -68.15 -30.62 69.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -88.17 -29.85 20.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HD2' HG11 ' A' ' 73' ' ' VAL . 18.2 mttm -57.89 -53.6 56.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.21 -160.89 27.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.565 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.7 -29.76 25.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.32 -31.35 67.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.739 HG11 ' HD2' ' A' ' 69' ' ' LYS . 19.9 t -99.33 -30.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 t -67.02 -36.8 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -73.42 -36.2 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.837 ' CE2' HD11 ' A' ' 80' ' ' LEU . 46.5 t80 -73.64 -40.97 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -61.27 -35.43 77.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 81' ' ' LEU . 87.2 mt -80.7 -30.85 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -40.14 79.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.837 HD11 ' CE2' ' A' ' 76' ' ' PHE . 5.9 mt -59.94 -39.22 84.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.786 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 24.9 mt -59.24 -29.63 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -44.43 62.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -74.69 -56.63 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.12 -19.32 61.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -50.2 -26.77 4.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.483 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.31 -28.96 57.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.89 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.441 ' CD2' HD12 ' A' ' 91' ' ' LEU . 51.7 m-85 -72.8 154.76 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.53 -30.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.91 -44.44 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 88' ' ' TYR . 4.2 mt -81.42 121.39 26.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.26 -60.19 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.16 -27.39 11.78 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.576 2.184 . . . . 0.0 112.383 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -62.92 -59.0 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.52 -47.29 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -29.35 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -77.33 -49.08 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 pt -70.43 -25.99 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.46 77.11 0.3 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -64.87 99.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 68.59 -67.84 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.0 t -89.08 155.59 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.72 -64.39 0.61 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.526 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.06 -179.96 3.42 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.313 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 99.3 p -71.27 178.77 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.796 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -166.36 116.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.52 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -172.11 -55.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.811 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -145.63 -47.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.59 73.1 1.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.54 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 p -141.76 -47.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.46 145.71 24.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.75 67.33 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.426 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -118.03 101.43 51.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.58 -25.39 14.52 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.551 2.167 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -82.77 -54.71 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.63 -32.37 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -31.58 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.7 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 63' ' ' LEU . 10.3 mt -81.51 -44.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -63.14 -42.24 99.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.56 -41.06 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.15 37.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.713 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.9 ttm105 -72.54 -39.22 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.73 -31.26 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -41.71 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 63' ' ' LEU . 39.4 mt -60.19 -36.38 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.1 t -63.33 -30.62 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.035 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -88.14 -30.92 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -77.2 -60.61 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 26' ' ' ARG . 20.7 mt -71.6 155.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' N ' HG22 ' A' ' 25' ' ' ILE . 36.3 ttt-85 -143.17 -47.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.79 81.42 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' VAL . 44.9 p -71.95 -28.27 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -56.56 -30.46 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.8 m -71.63 -45.7 61.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 HD11 HG21 ' A' ' 25' ' ' ILE . 27.3 mt -60.89 -43.76 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -68.77 -33.97 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -52.64 64.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' A' ' 41' ' ' PHE . 24.4 mt -66.1 -36.97 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -67.74 -45.0 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 2.4 m-80 -82.25 -0.06 43.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.436 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 62.6 39.02 11.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.872 0.367 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 14.5 m-85 -98.84 -49.84 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.8 m-85 -83.44 129.03 34.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -71.28 159.28 34.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.23 -31.78 60.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 48' ' ' ILE . 37.6 m-20 -66.65 -44.82 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.85 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -69.23 -30.64 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 45' ' ' ASP . 22.2 mt -74.19 -40.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -59.77 -63.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -29.54 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.59 -22.3 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.5 146.44 33.78 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.46 -34.95 2.38 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.604 2.203 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.0 p -124.87 173.63 8.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.07 -52.21 7.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.5 Cg_exo -50.08 -27.4 16.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.191 . . . . 0.0 112.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -36.29 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -63.85 -42.44 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.5 t -59.07 -37.55 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -73.99 -30.5 62.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppm? -72.18 -40.81 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.868 ' O ' HG23 ' A' ' 66' ' ' VAL . 14.4 mt -69.59 -39.86 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.522 ' CD2' HD22 ' A' ' 14' ' ' LEU . 39.4 mt -68.1 -41.03 82.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.56 -34.16 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.68 -46.77 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 62' ' ' ILE . 34.2 t -60.21 -31.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -70.25 -31.4 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.9 t -76.83 -32.9 57.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.543 ' HD3' HG21 ' A' ' 73' ' ' VAL . 56.5 mttm -61.85 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.94 -158.17 27.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.62 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.07 -39.19 74.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.543 HG21 ' HD3' ' A' ' 69' ' ' LYS . 20.2 t -94.41 -31.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 t -60.98 -38.53 86.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.56 -48.1 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 80' ' ' LEU . 50.9 t80 -59.64 -43.44 93.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -63.46 -41.52 98.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' A' ' 81' ' ' LEU . 17.2 mt -73.82 -35.52 64.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.2 -41.56 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 76' ' ' PHE . 9.1 mt -61.72 -46.91 87.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.676 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 11.8 mt -59.06 -29.5 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.517 ' HA ' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -73.7 -53.21 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.005 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -30.05 68.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.3 mt -92.21 -9.1 43.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.429 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -55.61 -30.11 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -31.31 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.23 -47.11 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -66.38 156.08 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -109.8 28.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.85 -44.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.74 132.5 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 176.79 -57.99 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.08 -13.37 15.65 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.599 2.2 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -79.66 -53.91 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 82' ' ' GLN . 5.8 mt -61.71 -47.45 85.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -31.75 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -63.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.77 -28.89 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.05 80.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -73.31 78.15 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -126.06 31.57 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.65 162.0 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.87 61.46 0.95 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.8 -28.35 25.18 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 0.0 112.273 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.5 m -116.16 108.94 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.94 111.61 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.505 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.36 156.25 22.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 60.55 167.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.03 -76.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -85.71 124.92 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -73.18 152.8 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.85 117.8 1.46 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -114.15 88.21 14.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.649 0.261 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.77 -26.04 22.61 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.613 2.209 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.594 ' O ' HD11 ' A' ' 78' ' ' LEU . 17.1 m80 -77.81 -59.53 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.472 HG23 ' HG2' ' A' ' 67' ' ' GLN . 35.3 mt -67.05 -40.54 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.33 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.12 -30.44 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.536 ' HA ' HD11 ' A' ' 21' ' ' LEU . 15.8 mt -82.06 -44.35 16.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -65.43 -54.25 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -46.69 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -97.84 37.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.6 ttm180 -64.3 -52.76 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -63.76 -32.86 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.01 -33.9 74.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.681 HD13 ' CD2' ' A' ' 63' ' ' LEU . 10.1 mt -69.7 -31.46 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -72.55 -30.93 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -83.46 -42.9 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.16 -56.62 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' CD1' HD21 ' A' ' 81' ' ' LEU . 30.7 mt -76.43 124.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -118.04 -40.83 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -83.93 102.76 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 p -92.55 -31.44 15.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -59.53 -35.19 73.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.98 -43.87 70.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.26 -45.74 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -67.46 -35.98 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.09 -45.89 91.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -68.46 -44.78 74.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 41' ' ' PHE . 61.8 mt -58.47 -31.39 67.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.4 -43.99 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -71.5 -30.19 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -81.46 0.21 38.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.24 48.79 3.52 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' HD2' HG13 ' A' ' 73' ' ' VAL . 22.1 m-85 -115.19 -41.86 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.775 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.683 ' CE1' HD13 ' A' ' 35' ' ' LEU . 4.7 m-85 -107.36 152.31 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -105.67 172.07 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.76 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.83 -42.44 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.692 ' HA ' HD12 ' A' ' 48' ' ' ILE . 52.5 m-20 -59.93 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -30.52 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.9 mt-10 -70.33 -32.69 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 45' ' ' ASP . 11.0 mt -74.01 -46.94 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.3 -57.11 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.7 m -59.5 -30.44 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -59.6 -20.53 56.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.333 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.3 m -52.05 157.78 2.04 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.29 -38.24 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -132.71 -177.49 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -71.24 -53.07 8.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.6 Cg_exo -50.23 -27.74 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.543 2.162 . . . . 0.0 112.391 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.88 -31.17 40.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -64.97 -47.67 76.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 28' ' ' THR . 32.4 t -59.65 -35.07 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 tppm? -74.71 -39.59 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 33.2 mt -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.681 ' CD2' HD13 ' A' ' 21' ' ' LEU . 16.2 mt -61.77 -41.12 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -35.54 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -68.28 -58.32 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.749 HG13 HG12 ' A' ' 73' ' ' VAL . 24.3 t -54.38 -34.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 11' ' ' ILE . 68.2 mt-30 -67.25 -26.05 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.38 -31.65 20.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.679 ' HD2' HG11 ' A' ' 73' ' ' VAL . 26.7 mttt -59.92 -67.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 156.12 -177.3 33.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.31 -30.06 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -30.72 66.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.749 HG12 HG13 ' A' ' 66' ' ' VAL . 18.6 t -97.95 -32.67 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.566 ' O ' HD12 ' A' ' 78' ' ' LEU . 28.8 t -66.15 -30.57 71.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -79.04 -29.07 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.01 -45.92 17.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 35' ' ' LEU . 14.7 t80 -58.95 -51.7 68.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 10' ' ' HIS . 13.3 mt -59.94 -30.86 69.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -37.93 86.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.45 -31.56 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.782 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 58.3 mt -69.11 -30.0 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -75.73 -44.79 40.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -76.22 -51.13 12.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.44 -13.15 62.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.782 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -52.99 -29.05 26.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.732 0.301 . . . . 0.0 111.276 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -30.63 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.56 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.525 ' CG ' HD12 ' A' ' 91' ' ' LEU . 79.0 m-85 -74.97 151.37 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -102.58 -34.39 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -30.32 61.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 88' ' ' TYR . 3.0 mt -96.43 123.76 40.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.408 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -178.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 72.2 Cg_endo -76.45 -31.22 4.59 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -58.89 -53.79 54.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.54 -30.84 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.9 mt -80.16 -29.81 38.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.78 -61.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.9 pt -58.93 -31.61 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.76 77.57 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -58.88 -52.68 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -63.96 117.0 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.4 m -98.18 32.17 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.6 130.47 2.33 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.88 145.47 45.58 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.452 2.101 . . . . 0.0 112.3 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.6 p -112.62 31.91 6.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.4 135.42 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.467 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -123.69 84.69 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.19 133.92 26.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.37 -144.35 17.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 139.27 30.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -112.31 -31.69 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.67 -82.44 1.46 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.666 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.696 ' CG ' HD12 ' A' ' 11' ' ' ILE . 22.1 m170 -103.07 93.47 4.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.642 0.258 . . . . 0.0 111.003 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.15 -18.27 35.29 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.577 2.185 . . . . 0.0 112.573 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -99.92 -35.56 9.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.024 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 8' ' ' HIS . 25.7 mt -76.98 -32.16 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -36.0 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.39 -31.83 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD22 ' CD2' ' A' ' 63' ' ' LEU . 30.7 mt -73.6 -47.85 37.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -63.02 -51.41 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -64.03 -37.87 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -114.28 54.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.2 ttm-85 -88.0 -51.32 5.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -31.06 70.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 8.9 tp -71.8 -31.35 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 21' ' ' LEU . 16.7 mt -73.33 -31.67 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 59' ' ' VAL . 31.6 t -67.09 -29.2 45.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.7 m -84.51 -49.14 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.413 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -60.32 -53.57 56.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.45 135.89 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.75 -40.24 3.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -106.02 137.67 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.492 HG21 ' HB2' ' A' ' 58' ' ' LYS . 7.7 p -109.2 -34.81 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.57 -30.69 68.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.62 -49.32 78.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.2 mt -65.95 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -67.12 -30.92 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.23 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -70.87 -34.35 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -85.32 -31.07 23.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.662 HD11 ' HD1' ' A' ' 77' ' ' PHE . 8.5 mt -76.08 -31.52 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.98 -36.53 72.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -60.1 -40.33 89.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 68.3 m-80 -82.81 0.12 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.419 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 65.02 37.61 6.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -90.08 -39.74 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CD1' ' HE3' ' A' ' 69' ' ' LYS . 1.5 m-85 -96.66 131.46 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.3 m -73.26 168.13 19.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.91 76.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.59 -38.22 83.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.81 -48.52 78.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.69 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -30.41 70.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.3 -39.38 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.27 -52.61 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.03 -29.47 69.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.57 46.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.451 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.26 144.33 51.52 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.061 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.07 -39.16 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.645 2.23 . . . . 0.0 112.42 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.4 p -122.52 -177.35 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 2.3 tp60 -74.87 -53.27 3.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.049 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 73.5 Cg_exo -49.48 -27.63 14.5 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.529 2.153 . . . . 0.0 112.3 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.12 -36.08 61.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HB2' HG21 ' A' ' 28' ' ' THR . 3.1 mtpp -64.78 -51.46 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.7 t -55.15 -29.18 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.25 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -29.71 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -42.94 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.849 ' O ' HG23 ' A' ' 66' ' ' VAL . 62.3 mt -59.45 -42.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.548 ' CD2' HD22 ' A' ' 14' ' ' LEU . 25.7 mt -60.21 -42.42 95.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -31.27 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -75.86 -45.05 37.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 62' ' ' ILE . 25.6 t -58.53 -38.28 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.558 ' HG2' HG23 ' A' ' 11' ' ' ILE . 44.1 mt-30 -65.44 -30.44 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -76.59 -33.08 58.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HD2' HG11 ' A' ' 73' ' ' VAL . 60.2 mttm -67.3 -41.07 86.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.45 178.5 16.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.564 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.22 -26.32 68.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.14 -32.33 64.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.456 HG11 ' HD2' ' A' ' 69' ' ' LYS . 20.3 t -102.93 -29.52 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.72 -38.62 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.9 -43.2 75.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -66.76 -39.56 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.662 ' HD1' HD11 ' A' ' 35' ' ' LEU . 39.2 t80 -60.15 -49.34 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -30.98 70.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.52 -35.64 80.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.69 -36.07 78.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.17 -31.2 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.54 -41.61 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.47 -44.37 67.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 84' ' ' LEU . 18.1 mt -69.28 -13.96 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.56 -26.53 13.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.416 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.0 -30.7 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.09 -32.85 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.9 123.49 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -100.45 31.41 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.15 -46.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mt -80.73 122.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.507 ' HA ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -179.49 -52.56 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.7 Cg_exo -62.58 -30.38 79.22 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.498 2.132 . . . . 0.0 112.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -76.38 -46.73 26.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 92' ' ' ARG . 6.9 mt -56.79 -31.12 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.73 -30.33 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.02 -57.41 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.78 -28.84 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.7 88.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -89.02 126.77 35.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.7 t -157.53 152.58 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.3 139.96 29.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.34 65.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.46 123.19 9.64 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.614 2.209 . . . . 0.0 112.246 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.4 m -89.24 157.5 18.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.9 t -96.11 135.88 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.525 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -150.14 -56.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -103.91 -53.97 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.34 -166.68 39.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -110.1 -36.6 5.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -105.55 145.01 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.51 -47.67 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.553 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.754 ' CG ' HD12 ' A' ' 11' ' ' ILE . 30.5 m170 -130.0 82.14 67.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.281 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.2 -28.04 40.32 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -80.36 -42.25 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.754 HD12 ' CG ' ' A' ' 8' ' ' HIS . 36.4 mt -74.42 -38.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -61.91 -31.2 71.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.44 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 21' ' ' LEU . 71.4 mt -81.73 -48.72 11.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.002 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -61.63 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.3 t -86.43 -45.61 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -100.14 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.827 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.6 ttm180 -77.37 -31.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.52 -32.18 58.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.1 tp -76.23 -32.55 58.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 25' ' ' ILE . 47.5 mt -71.18 -36.16 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.9 t -73.34 -30.07 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -83.01 -30.27 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -89.71 -55.07 3.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.962 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.57 HD11 HD22 ' A' ' 21' ' ' LEU . 37.3 mt -66.49 116.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.108 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -109.4 -34.42 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.91 110.0 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 p -96.68 -41.21 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -56.19 -29.7 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -69.55 -38.75 77.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 77' ' ' PHE . 10.7 mt -75.5 -35.51 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 28' ' ' THR . 21.9 t -71.76 -32.87 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.04 -54.07 43.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -59.72 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.677 HD13 ' CE1' ' A' ' 41' ' ' PHE . 70.1 mt -59.84 -31.23 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD11 HG12 ' A' ' 32' ' ' VAL . 19.0 mt -76.0 -46.8 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -63.83 -32.15 73.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.7 0.12 44.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.359 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.2 58.68 1.12 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -121.83 -42.95 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.677 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.5 m-85 -97.05 145.12 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -90.92 168.19 11.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -31.31 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -78.12 -30.86 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' OD2' HD22 ' A' ' 65' ' ' LEU . 1.3 m-20 -75.08 -47.04 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.22 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -64.46 -32.76 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mt -72.59 -31.52 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.09 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.72 -51.75 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.69 -31.51 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.66 -20.87 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.351 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.5 m -54.57 138.16 61.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.4 -31.53 3.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.546 2.164 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.3 p -122.9 178.75 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.4 tp-100 -76.75 -51.04 2.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 71.8 Cg_exo -48.79 -27.0 10.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.147 . . . . 0.0 112.409 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.61 -35.27 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.792 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' CB ' HG21 ' A' ' 28' ' ' THR . 18.8 mtpt -63.49 -48.89 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 28' ' ' THR . 39.4 t -63.39 -42.8 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.3 mtt180 -68.37 -30.5 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -68.73 -41.73 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.732 ' O ' HG23 ' A' ' 66' ' ' VAL . 12.3 mt -65.89 -42.54 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 60' ' ' ARG . 15.0 mt -60.64 -40.17 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.81 -32.03 70.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.407 HD22 ' OD2' ' A' ' 45' ' ' ASP . 78.6 mt -74.23 -45.43 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 62' ' ' ILE . 30.1 t -64.74 -37.27 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.75 -31.46 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -73.39 -33.62 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -66.37 -45.59 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.76 -163.65 24.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -26.47 41.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -31.47 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.598 HG12 HG13 ' A' ' 66' ' ' VAL . 21.4 t -99.92 -30.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -61.22 -33.05 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -75.31 -42.07 55.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.23 -33.9 75.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.66 ' HA ' HD12 ' A' ' 80' ' ' LEU . 33.4 t80 -72.89 -32.55 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 81' ' ' LEU . 20.3 mt -77.86 -31.49 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.97 -34.92 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 77' ' ' PHE . 6.2 mt -62.24 -37.02 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 78' ' ' LEU . 12.1 mt -59.62 -29.92 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -60.74 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.96 -44.54 92.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 80' ' ' LEU . 89.1 mt -67.0 -14.49 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.368 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.54 10.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.441 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -59.16 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.993 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.98 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -72.57 176.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.18 -46.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.47 -32.64 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.54 107.9 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 1.7 ttp180 -179.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 33.1 Cg_endo -64.22 -27.65 64.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.438 2.092 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -67.36 -43.91 80.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.83 -51.01 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.09 -31.27 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 pt -60.66 -28.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.68 87.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.53 ' HE2' HD13 ' A' ' 78' ' ' LEU . 3.3 t80 -108.71 106.17 16.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -131.74 -62.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m 60.58 31.35 20.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -148.07 126.58 2.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.383 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.38 -45.16 0.88 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.436 2.091 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.3 m -138.38 150.8 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.5 t -83.01 115.84 22.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.469 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -172.84 36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -79.5 -33.66 41.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.13 104.6 1.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.45 61.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.963 0.411 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.72 140.01 20.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 -167.15 31.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.466 ' CG ' HD12 ' A' ' 11' ' ' ILE . 21.0 m80 -108.13 88.65 4.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.676 0.274 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.87 -18.75 47.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.529 2.153 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -93.74 -38.29 11.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.609 HG23 ' HA ' ' A' ' 67' ' ' GLN . 29.7 mt -76.3 -43.75 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.223 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.96 -30.97 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.79 -31.57 71.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD23 HD11 ' A' ' 21' ' ' LEU . 57.8 mt -78.94 -41.39 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -70.02 -52.97 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 t -60.08 -44.97 94.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -101.0 34.43 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.2 ttm180 -69.82 -44.54 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 94' ' ' TRP . 2.5 tp -75.58 -43.07 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.625 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 92.2 mt -65.31 -35.6 81.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 18' ' ' ARG . 28.0 t -71.96 -28.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.3 m -86.33 -35.98 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.981 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.411 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -81.71 -54.39 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 124.91 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -111.48 -44.59 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -89.41 127.52 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.705 HG22 HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -106.85 -34.16 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -57.68 -36.61 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.2 m -60.2 -39.97 88.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.11 -34.11 65.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -76.73 -33.39 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -40.73 83.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -70.97 -47.17 60.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 41' ' ' PHE . 21.9 mt -60.32 -35.98 76.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.72 -46.31 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -60.97 -37.47 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -82.78 0.08 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.35 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 65.98 71.14 0.42 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -132.34 -48.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.3 m-85 -93.63 151.85 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m -104.36 168.73 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.94 71.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -76.71 -31.82 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.91 -48.33 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.37 71.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -36.8 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.52 -36.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.27 -61.35 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -60.47 -28.53 68.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.38 37.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.352 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.79 156.38 4.95 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -77.99 -39.21 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.601 2.2 . . . . 0.0 112.4 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.1 p -130.91 -177.34 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -72.53 -52.45 6.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.4 Cg_exo -50.31 -28.09 19.7 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.594 2.196 . . . . 0.0 112.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.89 -32.84 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -63.94 -42.49 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.476 HG22 HG23 ' A' ' 28' ' ' THR . 25.5 t -62.8 -33.08 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -71.34 -31.94 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -72.65 -42.13 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.749 ' O ' HG23 ' A' ' 66' ' ' VAL . 52.8 mt -65.13 -36.08 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.26 -36.81 80.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.82 -40.25 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.98 -50.79 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.6 t -58.99 -37.11 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.609 ' HA ' HG23 ' A' ' 11' ' ' ILE . 57.0 mt-30 -70.19 -31.01 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.5 m -80.54 -33.57 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.545 ' HD2' HG11 ' A' ' 73' ' ' VAL . 26.4 mttm -59.46 -56.69 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.18 -170.59 24.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.567 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -73.0 -28.43 62.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.309 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -30.51 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.545 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.4 t -105.98 -30.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 t -59.55 -37.24 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.01 -37.9 75.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.31 -46.98 63.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.453 ' HD1' HD11 ' A' ' 35' ' ' LEU . 81.0 t80 -60.13 -38.82 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.19 -31.23 62.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.05 -38.13 85.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.19 -36.37 81.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 33.2 mt -59.47 -30.7 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -52.11 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.45 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.91 -22.9 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.69 -29.63 18.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.349 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.19 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.93 -35.56 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.406 ' CD2' HD12 ' A' ' 91' ' ' LEU . 5.7 m-85 -78.52 162.12 26.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 -39.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.406 HD12 ' CD2' ' A' ' 88' ' ' TYR . 11.5 mt -81.07 113.11 19.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.466 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 48.7 ttm-85 179.22 -58.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 30.9 Cg_endo -63.26 -27.17 72.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.264 1.976 . . . . 0.0 112.361 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.625 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 29.3 t90 -71.71 -49.77 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.44 -44.26 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.51 -30.05 68.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.03 -66.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.57 -34.6 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.01 61.91 1.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.46 34.61 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 m -112.16 174.23 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.77 108.05 7.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 158.21 -146.61 13.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -50.9 133.85 40.82 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.64 2.226 . . . . 0.0 112.297 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -106.53 172.47 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -112.02 45.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.519 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -103.83 92.17 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 60.31 176.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.89 112.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -158.61 35.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.25 -56.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.41 -40.87 2.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.871 ' CG ' HD12 ' A' ' 11' ' ' ILE . 21.6 m80 -117.66 90.86 36.93 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.707 0.289 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.13 -23.01 34.12 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.617 2.211 . . . . 0.0 112.443 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.43 ' HD2' HD12 ' A' ' 78' ' ' LEU . 16.7 m80 -93.07 -36.24 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.871 HD12 ' CG ' ' A' ' 8' ' ' HIS . 40.7 mt -73.73 -30.44 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.252 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -70.23 -31.44 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.0 -31.02 69.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.554 HD22 HD23 ' A' ' 63' ' ' LEU . 15.1 mt -78.84 -42.25 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HE2' HG22 ' A' ' 11' ' ' ILE . 23.0 mttm -73.43 -51.63 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.54 74.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -115.03 39.53 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -68.11 -60.59 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -31.03 68.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.8 tp -71.59 -35.88 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 25' ' ' ILE . 34.8 mt -73.7 -31.93 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.3 t -64.57 -29.24 46.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -94.79 -44.15 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.4 m-70 -59.67 -54.49 45.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 21' ' ' LEU . 32.1 mt -70.29 131.73 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.048 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -120.47 -42.53 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.13 87.22 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 32' ' ' VAL . 76.7 p -73.39 -34.75 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -64.51 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.62 -52.08 54.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.15 -41.43 92.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 28' ' ' THR . 30.8 t -70.63 -33.04 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.3 -51.03 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 77' ' ' PHE . 38.4 mt -62.56 -31.32 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.9 mt -77.21 -36.58 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -68.86 -35.77 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.54 0.26 43.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.431 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.69 56.1 0.94 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.985 0.421 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -116.13 -43.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.741 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.41 144.44 29.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -102.81 164.44 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.7 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.97 -28.71 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' HB3' HD13 ' A' ' 65' ' ' LEU . 17.9 m-20 -81.82 -50.89 8.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.96 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.79 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.8 mt -73.17 -41.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.82 -56.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.74 -29.61 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 48' ' ' ILE . . . -57.58 -23.54 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.8 m -54.98 146.41 38.52 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.14 -44.3 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.575 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.5 p -113.03 -176.8 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.3 OUTLIER -78.98 -52.91 1.18 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -50.55 -28.29 21.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.431 2.088 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -34.94 60.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -63.69 -49.18 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.514 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.5 t -56.98 -34.94 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.558 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.12 -31.18 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -70.49 -37.99 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.0 mt -64.57 -41.83 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 60' ' ' ARG . 12.1 mt -61.68 -45.45 93.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 45' ' ' ASP . 34.6 mt -71.51 -53.82 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 62' ' ' ILE . 21.7 t -59.03 -46.55 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -59.9 -30.85 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -80.15 -33.61 38.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.516 ' HD2' HG11 ' A' ' 73' ' ' VAL . 53.6 mttm -60.21 -67.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.81 -178.17 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.81 -36.15 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.516 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.5 t -93.84 -30.97 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -59.56 -30.98 69.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -76.63 -48.84 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 80' ' ' LEU . 69.1 t80 -61.25 -43.3 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.422 ' CD1' HD11 ' A' ' 35' ' ' LEU . 22.4 t80 -59.11 -40.13 84.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.43 HD12 ' HD2' ' A' ' 10' ' ' HIS . 85.6 mt -79.99 -30.47 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.12 -31.39 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 76' ' ' PHE . 5.3 mt -66.88 -34.87 78.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.743 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 43.7 mt -59.47 -31.1 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -39.05 62.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -73.34 -53.05 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.34 -19.46 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.31 -26.71 7.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.541 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -30.48 64.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -111.27 34.31 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.759 ' CD2' HD12 ' A' ' 91' ' ' LEU . 8.8 m-85 -131.11 157.36 43.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.7 t -115.8 -52.39 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.43 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.759 HD12 ' CD2' ' A' ' 88' ' ' TYR . 12.8 mt -84.55 113.7 21.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.431 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.1 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.431 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 19.1 Cg_exo -65.96 -34.37 38.86 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.519 2.146 . . . . 0.0 112.122 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -59.21 -50.42 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.84 -36.69 70.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.97 -30.28 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.43 -52.03 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.3 pt -73.36 -30.08 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.72 49.63 17.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.39 103.29 1.0 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.334 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -63.67 142.43 58.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.95 -175.83 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.07 159.76 10.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.62 -28.21 26.2 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.581 2.187 . . . . 0.0 112.376 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 m -141.67 96.59 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -97.69 37.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.507 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.03 -53.62 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.49 -177.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.62 98.3 0.16 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 p -143.01 172.32 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.815 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.77 88.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.17 -153.74 45.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.552 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -106.93 102.25 41.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.584 0.23 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.61 -24.7 9.82 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.597 2.198 . . . . 0.0 112.678 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -86.82 -49.97 7.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 mt -72.25 -45.41 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -30.56 60.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.055 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 13' ' ' LEU . 12.5 mt -63.96 -39.69 94.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 63' ' ' LEU . 19.6 mt -67.93 -44.98 75.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -58.94 -31.05 68.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -87.31 -41.35 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -102.8 36.05 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.13 -56.64 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.94 -31.98 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.07 -44.62 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 25' ' ' ILE . 10.5 mt -60.02 -31.28 69.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 18' ' ' ARG . 26.0 t -68.2 -32.93 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -81.89 -30.05 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -82.52 -52.84 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.897 HD11 HD22 ' A' ' 21' ' ' LEU . 49.9 mt -69.58 136.68 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.16 -37.52 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -105.16 117.16 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.57 ' CG2' HG22 ' A' ' 59' ' ' VAL . 4.3 p -95.16 -32.65 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.13 -29.82 70.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -40.38 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.79 -43.4 54.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.0 t -63.15 -34.65 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.71 -50.29 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.44 -44.61 86.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.78 HD13 ' CE1' ' A' ' 41' ' ' PHE . 18.1 mt -60.25 -43.58 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.86 -45.35 94.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -62.88 -34.74 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.74 0.08 45.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.411 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.41 46.45 3.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.935 0.398 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -106.64 -43.23 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.78 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.0 m-85 -93.86 135.04 35.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -30.66 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.62 -32.32 36.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 48' ' ' ILE . 3.8 m-20 -67.3 -35.49 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.33 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.68 -29.34 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 45' ' ' ASP . 28.5 mt -68.4 -40.02 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.46 -51.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.38 -26.22 68.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.9 49.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.393 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.53 141.37 83.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.37 -36.01 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.487 2.125 . . . . 0.0 112.418 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.7 p -118.52 171.84 7.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -67.54 -52.68 26.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.36 -33.59 37.8 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.64 -31.21 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HB2' HG21 ' A' ' 28' ' ' THR . 4.4 mtpp -71.16 -37.28 72.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 22' ' ' VAL . 39.2 t -66.47 -32.51 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -77.24 -30.56 54.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.01 -43.63 57.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 66' ' ' VAL . 6.5 mt -62.54 -45.54 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 14' ' ' LEU . 19.0 mt -58.53 -39.62 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.54 -33.98 75.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD22 ' OD2' ' A' ' 45' ' ' ASP . 68.9 mt -71.07 -47.65 57.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 62' ' ' ILE . 22.8 t -59.33 -40.71 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.03 -31.36 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -73.68 -33.59 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -65.97 -60.72 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 154.57 -158.57 28.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 -27.63 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.03 -47.39 81.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.73 -30.41 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -61.21 -47.62 85.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.52 -40.0 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -68.03 -45.01 75.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.71 -40.43 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 81' ' ' LEU . 58.8 mt -75.05 -30.54 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.84 -41.45 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.55 -35.17 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 78' ' ' LEU . 8.1 mt -59.58 -30.93 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.655 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -82.66 -39.33 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -31.34 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.33 -10.14 45.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.353 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.7 20.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.686 0.279 . . . . 0.0 111.332 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -30.56 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.76 32.07 5.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -132.79 162.4 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.58 36.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -144.94 -43.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.086 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.79 27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -74.79 -61.14 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.969 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 58.2 Cg_endo -71.86 -24.96 20.54 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 112.474 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -58.2 -30.44 66.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.655 HD13 ' HG2' ' A' ' 82' ' ' GLN . 9.8 mt -80.36 -34.1 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.78 -31.34 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.52 -67.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.3 pt -59.74 -36.48 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.77 66.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -91.2 -30.43 16.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -59.22 164.79 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -82.8 95.06 7.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.67 151.11 5.7 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.575 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.16 169.06 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.605 2.204 . . . . 0.0 112.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.4 m -166.01 -43.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.86 -76.6 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.498 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.88 -57.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -89.16 -31.2 18.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.69 -94.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -98.84 -170.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -127.11 135.11 50.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.32 94.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.552 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.411 ' CG ' HD12 ' A' ' 11' ' ' ILE . 72.9 m80 -111.17 137.5 20.99 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.66 0.267 . . . . 0.0 110.826 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.72 -13.32 11.91 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.516 2.144 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -110.44 -45.26 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 15' ' ' LYS . 29.8 mt -68.12 -45.92 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.341 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -59.03 -29.9 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.99 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.18 -47.4 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HD2' HG22 ' A' ' 11' ' ' ILE . 6.9 mttp -58.36 -53.51 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -49.34 76.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -97.64 45.05 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -76.5 -59.53 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.59 -30.78 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.98 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 tp -73.13 -30.88 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.557 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 41.8 mt -80.68 -30.8 36.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.9 t -68.73 -30.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -83.66 -33.45 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -76.7 -57.29 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.38 120.52 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.11 -45.78 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.5 123.55 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -101.67 -33.19 9.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -56.54 -28.76 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.74 -43.8 75.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD22 ' CE1' ' A' ' 77' ' ' PHE . 11.1 mt -67.14 -42.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.67 -33.04 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -46.25 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -69.6 -37.74 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' A' ' 41' ' ' PHE . 37.6 mt -67.72 -31.37 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -73.32 -37.46 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -37.63 87.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.63 0.02 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.456 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 61.57 59.1 1.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.88 -44.83 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.3 m-85 -86.89 122.86 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.82 161.28 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.26 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.77 -38.8 37.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.703 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.1 m-20 -63.26 -34.06 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.74 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -35.5 76.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 45' ' ' ASP . 8.4 mt -66.97 -36.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 45' ' ' ASP . 28.4 t -63.27 -57.03 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.84 -29.12 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.33 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.9 m -56.31 141.76 69.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.4 -40.81 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.493 2.129 . . . . 0.0 112.419 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.5 p -110.95 169.36 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.6 tp60 -70.49 -52.54 11.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.51 -30.71 28.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.49 2.126 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.17 -34.78 68.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -65.48 -46.11 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 22' ' ' VAL . 17.4 t -58.35 -49.67 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HA ' HD12 ' A' ' 63' ' ' LEU . 9.2 ttt85 -63.28 -29.18 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -68.96 -46.04 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 66' ' ' VAL . 59.6 mt -63.04 -46.66 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 60' ' ' ARG . 15.7 mt -56.47 -41.49 76.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.0 -30.86 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -73.16 -50.89 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.9 t -57.94 -30.38 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.03 -34.75 78.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.5 t -78.5 -32.96 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HB3' HG21 ' A' ' 73' ' ' VAL . 60.3 mttm -61.92 -36.37 81.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.93 16.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.54 -26.64 63.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.66 -30.53 61.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 69' ' ' LYS . 21.4 t -101.21 -30.92 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.421 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.6 t -61.86 -38.29 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.16 -43.39 95.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -72.4 -41.84 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.506 ' CE1' HD22 ' A' ' 31' ' ' LEU . 53.5 t80 -60.1 -30.59 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 74' ' ' SER . 8.2 mt -82.95 -30.24 28.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.89 -43.22 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.57 -35.03 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.742 HD22 HD22 ' A' ' 91' ' ' LEU . 3.4 mt -61.01 -22.14 64.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' HA ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.21 -50.91 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.108 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -67.29 -48.26 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.9 -28.08 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.77 -28.48 22.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.438 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -60.25 -29.6 68.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.17 -34.57 11.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -71.68 161.41 31.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 89' ' ' VAL . 13.5 t -124.51 30.23 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.74 -45.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.742 HD22 HD22 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -87.05 131.69 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.62 -58.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.11 -26.18 9.45 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 112.44 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.557 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 40.1 t90 -63.9 -44.8 91.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 82' ' ' GLN . 4.9 mt -67.07 -33.37 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.32 -31.72 67.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.19 -35.12 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.9 pt -81.66 -30.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.44 52.55 4.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.86 120.39 40.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -176.55 -69.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.79 100.63 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.39 74.17 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.29 96.84 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.615 2.21 . . . . 0.0 112.29 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.0 p -163.1 158.63 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.11 171.02 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.423 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -72.74 -31.48 64.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -141.05 88.92 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.65 -44.14 6.99 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 61.07 43.66 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -114.75 151.86 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.67 -57.07 0.49 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.739 ' CG ' HD12 ' A' ' 11' ' ' ILE . 35.5 m170 -115.08 83.89 10.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.17 -32.06 38.64 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.61 2.207 . . . . 0.0 112.455 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -81.14 -47.65 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.981 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.739 HD12 ' CG ' ' A' ' 8' ' ' HIS . 43.2 mt -65.7 -33.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -31.69 72.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.773 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.64 -30.48 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 63' ' ' LEU . 96.2 mt -85.21 -42.29 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -64.07 -49.75 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -35.47 77.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -117.59 57.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 ttm105 -86.53 -43.14 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.31 -31.19 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.506 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 13.2 mt -64.09 -32.95 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ARG . 25.8 t -64.54 -30.91 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -31.4 24.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -76.32 -45.56 31.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.586 HD12 ' CG1' ' A' ' 59' ' ' VAL . 20.7 mt -75.38 136.11 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -39.81 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -111.69 134.27 53.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.3 p -106.84 -28.46 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -57.31 -30.86 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.01 -50.49 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.644 HD22 ' CE1' ' A' ' 77' ' ' PHE . 7.7 mt -61.73 -45.23 94.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 28' ' ' THR . 26.7 t -62.24 -40.87 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -49.35 77.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.9 -40.06 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 41' ' ' PHE . 17.6 mt -65.85 -31.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 41' ' ' PHE . 56.7 mt -76.77 -38.23 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -65.52 -35.75 81.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -82.52 0.08 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t0 63.7 52.81 2.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' A' ' 73' ' ' VAL . 9.3 m-85 -117.15 -41.33 3.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.501 ' O ' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -97.66 130.13 44.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -85.08 166.35 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.59 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.95 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.668 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.4 m-20 -59.5 -51.06 71.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.62 -39.88 84.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 9.6 mt -69.18 -38.15 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.4 t -59.39 -54.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -28.74 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 48' ' ' ILE . . . -56.88 -23.85 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.282 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -55.58 149.96 27.54 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.59 -36.24 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.63 2.22 . . . . 0.0 112.448 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 p -130.55 -177.31 4.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -71.88 -53.24 7.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.6 Cg_exo -48.72 -29.93 15.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.53 2.154 . . . . 0.0 112.442 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.89 -31.74 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.59 -47.4 66.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.586 ' CG1' HD12 ' A' ' 25' ' ' ILE . 29.3 t -58.93 -29.8 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.762 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.62 -30.62 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -71.54 -35.86 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 66' ' ' VAL . 24.3 mt -67.69 -38.49 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.05 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 60' ' ' ARG . 7.0 mt -62.88 -44.52 95.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.33 -34.66 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' A' ' 45' ' ' ASP . 19.2 mt -68.67 -50.61 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 62' ' ' ILE . 30.9 t -61.28 -41.9 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.44 -31.47 71.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -76.79 -31.4 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.602 ' HD3' HG21 ' A' ' 73' ' ' VAL . 66.8 mttm -65.75 -75.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.61 -167.86 37.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.18 -29.34 62.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -30.71 65.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 69' ' ' LYS . 21.2 t -101.93 -30.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 t -61.18 -45.74 93.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -64.97 -42.15 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 80' ' ' LEU . 49.0 t80 -65.53 -43.45 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.644 ' CE1' HD22 ' A' ' 31' ' ' LEU . 59.5 t80 -64.87 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.556 ' HA ' HD12 ' A' ' 81' ' ' LEU . 68.1 mt -83.52 -30.88 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.49 -41.99 88.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 76' ' ' PHE . 9.0 mt -61.43 -30.33 70.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 78' ' ' LEU . 71.9 mt -59.88 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.523 ' HG2' HD13 ' A' ' 95' ' ' LEU . 22.9 mt-30 -80.98 -47.74 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -68.94 -40.32 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.79 -23.81 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.91 -28.13 15.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.377 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.16 31.42 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -127.27 174.95 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.99 32.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.84 -50.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.4 mt -68.12 108.48 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.428 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 32.9 Cg_exo -61.24 -32.2 90.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.491 2.127 . . . . 0.0 112.212 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.506 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 30.0 t90 -72.55 -40.89 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.523 HD13 ' HG2' ' A' ' 82' ' ' GLN . 56.7 mt -58.37 -48.73 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -30.93 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.68 -47.88 57.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.2 pt -76.69 -33.81 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.74 73.38 0.83 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -83.58 125.09 31.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.22 179.91 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -153.54 32.24 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.97 126.83 6.12 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.388 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.85 98.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.385 2.057 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.7 t -145.72 142.29 28.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.7 p -147.89 117.82 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.503 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -64.25 147.64 51.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -142.12 146.87 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.86 -75.37 1.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -117.46 138.67 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 m -136.28 -46.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.98 69.02 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.399 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.768 ' CG ' HD12 ' A' ' 11' ' ' ILE . 89.1 m-70 -151.9 103.88 2.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.55 0.214 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 8' ' ' HIS . 41.5 Cg_endo -67.55 -18.44 48.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.397 2.064 . . . . 0.0 112.457 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -98.95 -40.71 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.768 HD12 ' CG ' ' A' ' 8' ' ' HIS . 27.0 mt -73.49 -40.51 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -31.63 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.17 -30.9 69.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 63' ' ' LEU . 25.7 mt -81.26 -47.09 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -64.28 -51.98 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -53.29 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -95.36 43.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.896 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.5 ttm180 -76.7 -60.1 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.62 -31.15 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.11 -45.3 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.635 HD22 HD11 ' A' ' 25' ' ' ILE . 16.0 mt -64.25 -31.51 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 18' ' ' ARG . 22.3 t -64.81 -30.87 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -86.78 -37.33 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -67.99 -58.41 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.635 HD11 HD22 ' A' ' 21' ' ' LEU . 11.4 mt -67.89 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -35.14 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.42 141.67 41.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.8 p -113.4 -34.59 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -30.0 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.6 -41.32 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.2 mt -78.19 -46.66 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 28' ' ' THR . 21.7 t -59.33 -39.62 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.49 -52.12 65.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -64.78 -45.76 84.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 31' ' ' LEU . 6.8 mt -60.16 -31.05 69.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.16 -35.55 55.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -34.08 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 2.5 m-80 -82.62 0.13 44.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.371 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t0 64.33 35.22 9.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 6.9 m-85 -94.15 -50.42 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CE1' HD22 ' A' ' 35' ' ' LEU . 3.3 m-85 -83.91 125.09 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -67.55 166.07 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -31.21 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.51 -37.94 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -69.18 -36.09 76.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.59 -29.31 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' ASP . 19.9 mt -71.24 -30.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -71.14 -52.67 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.52 -25.06 64.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.997 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.24 -28.74 55.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -59.26 138.22 88.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.39 -41.1 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.509 2.139 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.0 p -111.2 175.94 5.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.41 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.3 tp60 -75.03 -52.68 3.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.7 Cg_exo -50.36 -27.48 18.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.535 2.157 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -34.33 54.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -63.54 -34.15 77.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 22' ' ' VAL . 28.9 t -63.24 -45.93 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 63' ' ' LEU . 8.9 ttt180 -66.19 -29.67 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HD2' HG22 ' A' ' 48' ' ' ILE . 14.7 tppt? -73.19 -47.33 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.925 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.858 ' O ' HG23 ' A' ' 66' ' ' VAL . 6.9 mt -60.09 -41.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 60' ' ' ARG . 14.4 mt -62.12 -45.35 93.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.33 -42.3 98.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.34 -43.65 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.6 t -59.69 -30.78 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.78 -32.56 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -33.3 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 54.7 mttm -63.57 -48.3 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.19 176.17 14.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.97 -27.59 69.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -29.9 61.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.14 -30.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.444 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.4 t -60.67 -39.77 89.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.44 -43.47 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.17 -40.62 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.596 ' HA ' HD12 ' A' ' 80' ' ' LEU . 83.0 t80 -62.32 -53.22 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 74' ' ' SER . 0.5 OUTLIER -59.77 -30.94 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.59 -37.18 84.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 77' ' ' PHE . 9.2 mt -59.81 -36.73 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.726 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 86.0 mt -60.26 -31.08 69.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -44.91 50.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -72.11 -20.93 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.189 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.27 -24.99 12.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.348 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.65 -29.73 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.17 -47.63 7.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -60.7 146.83 44.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.4 m -102.22 -37.61 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.24 -33.72 63.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.7 104.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.449 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.5 ttp85 -177.81 -53.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 29.3 Cg_exo -61.7 -37.54 67.54 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.499 2.133 . . . . 0.0 112.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.413 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 29.1 t90 -62.12 -51.23 68.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.42 -52.74 62.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.26 -29.7 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -62.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 pt -58.89 -25.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.66 63.37 4.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -59.99 -66.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.9 t -98.11 119.58 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 t -95.2 69.13 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -135.25 148.74 19.71 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.59 -45.37 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.637 2.225 . . . . 0.0 112.265 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.2 m -137.67 135.91 36.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -172.08 125.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.53 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.5 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -172.73 99.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.89 -178.72 52.47 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.23 -50.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.833 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 m -77.41 154.18 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.43 -171.29 17.1 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.57 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.502 ' CG ' HD12 ' A' ' 11' ' ' ILE . 75.0 m-70 -109.52 98.34 31.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.66 -19.73 47.5 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.462 2.108 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -97.01 -39.98 9.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.502 HD12 ' CG ' ' A' ' 8' ' ' HIS . 29.1 mt -76.77 -33.83 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.98 -30.11 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.0 mt -58.65 -31.6 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 63' ' ' LEU . 6.6 mt -81.18 -45.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.37 -35.05 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -39.6 38.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.719 ' O ' HD12 ' A' ' 21' ' ' LEU . 38.4 m-80 -107.05 36.77 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.6 ttm105 -61.07 -52.41 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.4 -31.89 65.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.56 -31.11 65.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 17' ' ' ASN . 1.3 mt -72.98 -30.58 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 18' ' ' ARG . 29.9 t -73.59 -38.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -86.09 -58.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.447 HG12 HD11 ' A' ' 91' ' ' LEU . 34.5 mt -66.46 126.66 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.61 -36.81 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 116.2 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.75 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.3 p -102.04 -29.23 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -57.26 -43.59 83.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -42.07 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -37.62 79.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 28' ' ' THR . 30.5 t -74.25 -35.03 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.01 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.45 -40.86 93.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 41' ' ' PHE . 50.3 mt -64.86 -31.62 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.802 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.3 mt -75.34 -41.4 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -33.58 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 2.7 m-80 -78.16 -4.55 48.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.392 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.26 37.17 2.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -100.56 -48.78 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.808 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.2 m-85 -93.37 130.65 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 m -84.92 167.68 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.03 -31.71 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.18 -53.18 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.39 -29.22 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -30.21 70.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.04 -38.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.97 -50.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.81 -27.85 69.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.378 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.0 m -55.25 151.15 19.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.043 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.6 -44.71 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.467 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.6 p -116.78 -177.68 3.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.99 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' CB ' ' HD3' ' A' ' 56' ' ' PRO . 1.1 mp0 -75.35 -53.73 2.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 55' ' ' GLN . 65.0 Cg_exo -51.26 -27.87 24.56 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.493 2.129 . . . . 0.0 112.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -31.79 58.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -67.55 -35.32 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.731 ' HA ' HD12 ' A' ' 62' ' ' ILE . 31.3 t -61.0 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -29.66 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -72.75 -41.32 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 59' ' ' VAL . 7.7 mt -63.84 -41.06 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' HD22 ' A' ' 14' ' ' LEU . 35.7 mt -58.98 -45.46 90.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.36 -39.82 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.98 -56.49 14.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.8 t -59.41 -32.43 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -31.31 40.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.83 ' HD3' HG21 ' A' ' 73' ' ' VAL . 28.2 mttm -64.76 -70.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.18 -170.24 30.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.502 ' N ' HD11 ' A' ' 11' ' ' ILE . 10.7 mt-10 -64.36 -25.42 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -60.6 3.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' HD3' ' A' ' 69' ' ' LYS . 21.9 t -77.18 -33.38 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 78' ' ' LEU . 5.4 t -59.99 -30.78 69.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -73.94 -53.72 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.04 -39.64 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -59.67 -50.8 72.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 81' ' ' LEU . 7.2 mt -69.96 -30.89 68.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -60.3 -42.84 96.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.67 -36.53 76.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.747 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 48.6 mt -59.46 -26.74 65.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -83.08 -45.2 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -39.62 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.01 -21.09 43.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.89 -25.99 9.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.415 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.51 -29.66 62.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -113.99 37.65 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -129.31 152.4 48.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 m -111.06 -30.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.17 -39.18 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 81' ' ' LEU . 20.5 mt -99.93 125.82 45.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.409 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 1.1 mtt180 -179.79 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 68.7 Cg_endo -74.18 -25.03 14.08 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.554 2.169 . . . . 0.0 112.463 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -57.47 -51.74 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.77 -30.59 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.26 -30.19 48.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -40.1 40.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.0 pt -75.34 -37.67 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.11 66.52 1.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.02 -50.45 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -140.34 142.98 35.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.3 t 63.74 134.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.9 -64.4 0.52 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 116.53 4.64 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.538 2.159 . . . . 0.0 112.307 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.46 113.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -83.4 172.4 12.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.317 -1.269 . . . . 0.0 112.517 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -139.16 119.63 13.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.746 0.308 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.38 30.35 19.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.69 -140.49 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -135.89 168.0 20.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.367 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -84.41 113.87 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.42 59.45 4.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.468 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.79 ' CG ' HD12 ' A' ' 11' ' ' ILE . 46.8 m80 60.74 111.31 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.557 0.218 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.63 -16.18 46.23 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.419 2.079 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' O ' HD11 ' A' ' 78' ' ' LEU . 55.5 m80 -95.23 -42.29 8.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.82 0.343 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.79 HD12 ' CG ' ' A' ' 8' ' ' HIS . 37.8 mt -74.46 -32.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -31.04 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.4 -31.53 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD22 HD23 ' A' ' 63' ' ' LEU . 4.5 mt -80.56 -47.38 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' HE3' HG22 ' A' ' 11' ' ' ILE . 45.9 mttt -59.41 -44.0 92.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -70.93 -52.97 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -93.18 48.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 ttm105 -79.06 -53.58 6.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.53 -30.92 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.67 -42.95 73.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.698 HD22 HD11 ' A' ' 25' ' ' ILE . 30.4 mt -62.06 -32.46 72.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 18' ' ' ARG . 28.7 t -66.35 -28.85 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -36.27 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -73.59 -52.7 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.698 HD11 HD22 ' A' ' 21' ' ' LEU . 34.0 mt -71.76 136.72 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -115.12 -38.43 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -100.19 135.51 41.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.573 HG22 HG22 ' A' ' 59' ' ' VAL . 44.3 p -114.29 -34.1 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.38 -30.73 65.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.46 -32.65 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -79.73 -31.93 41.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -83.82 -31.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -54.15 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.38 -45.61 92.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.828 HD13 ' CE1' ' A' ' 41' ' ' PHE . 81.4 mt -59.82 -30.89 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.31 -42.15 55.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -29.81 68.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.0 0.1 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.44 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 67.38 32.61 5.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.47 -44.09 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.828 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.7 m-85 -94.92 168.05 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -133.42 170.14 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.18 -33.56 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.6 -46.75 71.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.527 ' CG ' HD22 ' A' ' 65' ' ' LEU . 6.9 m-20 -69.4 -36.32 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.61 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -60.83 -29.96 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 45' ' ' ASP . 21.5 mt -74.94 -43.62 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.39 -57.58 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -59.97 -29.68 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.4 -22.61 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.376 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.1 m -55.31 144.74 50.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.02 -37.53 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.8 p -123.36 -177.01 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -76.6 -52.36 2.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.2 Cg_exo -50.24 -27.95 19.01 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.565 2.177 . . . . 0.0 112.363 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -36.06 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HB2' HG21 ' A' ' 28' ' ' THR . 9.8 mttp -64.27 -44.86 90.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG22 HG22 ' A' ' 28' ' ' THR . 23.9 t -59.47 -31.0 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.58 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.37 -28.75 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -78.3 -42.22 31.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.3 mt -59.16 -29.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 60' ' ' ARG . 8.7 mt -75.23 -40.71 58.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -31.18 71.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 45' ' ' ASP . 34.3 mt -72.94 -52.87 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.748 HG13 HG12 ' A' ' 73' ' ' VAL . 30.8 t -60.48 -30.56 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -72.28 -31.12 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -31.37 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.662 ' CD ' HG21 ' A' ' 73' ' ' VAL . 22.9 mttt -66.42 -70.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.12 -165.77 31.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.561 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG3' ' CD2' ' A' ' 8' ' ' HIS . 0.8 OUTLIER -69.73 -28.0 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.715 0.293 . . . . 0.0 111.029 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.13 -29.96 61.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.748 HG12 HG13 ' A' ' 66' ' ' VAL . 25.7 t -106.06 -30.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 78' ' ' LEU . 23.2 t -57.93 -36.24 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.84 -46.64 43.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 80' ' ' LEU . 51.0 t80 -63.45 -39.74 95.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.525 ' HD1' HD11 ' A' ' 35' ' ' LEU . 56.3 t80 -66.06 -37.47 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.682 ' HA ' HD12 ' A' ' 81' ' ' LEU . 1.4 mt -77.99 -31.21 50.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.46 -35.94 78.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 76' ' ' PHE . 50.5 mt -60.35 -42.27 95.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 78' ' ' LEU . 5.1 mt -59.86 -30.02 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -50.78 29.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -69.07 -48.32 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.93 -13.13 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.345 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.44 -27.79 26.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -30.57 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.27 34.65 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.55 145.41 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.75 -52.33 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.19 -31.29 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.514 HD11 HG12 ' A' ' 25' ' ' ILE . 68.5 mt -95.19 125.16 39.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 6.3 mtt180 -179.77 -60.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.501 ' HA ' HD12 ' A' ' 96' ' ' LEU . 69.7 Cg_endo -74.61 -26.59 11.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.559 2.173 . . . . 0.0 112.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.445 ' CH2' HD21 ' A' ' 21' ' ' LEU . 27.8 t90 -59.24 -36.58 75.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.52 -31.42 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 93' ' ' PRO . 5.7 mt -80.2 -31.08 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -74.05 -41.07 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.2 pt -69.98 -32.55 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.59 54.99 2.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.39 119.03 29.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.7 m -122.72 159.51 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.7 p -74.55 178.95 4.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.45 -103.59 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.37 -51.19 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.427 2.085 . . . . 0.0 112.422 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.69 97.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.0 p -62.75 -66.27 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.272 -1.293 . . . . 0.0 112.571 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.38 143.08 30.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 60.6 97.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.58 62.8 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -158.53 134.14 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -159.09 102.75 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -140.53 0.43 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.454 ' CG ' HD12 ' A' ' 11' ' ' ILE . 67.7 m80 -56.19 107.49 0.91 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.584 0.23 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.93 -22.28 73.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.561 2.174 . . . . 0.0 112.479 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -94.18 -51.53 4.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 HD12 ' CG ' ' A' ' 8' ' ' HIS . 33.8 mt -64.36 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -76.48 -33.79 58.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 mt -60.2 -32.33 70.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.62 -49.13 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -59.83 -56.06 26.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.21 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -102.67 51.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.0 ttm180 -81.03 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -59.98 -31.17 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.25 -35.95 80.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.036 HD22 HD11 ' A' ' 25' ' ' ILE . 9.6 mt -71.32 -34.72 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -69.46 -29.19 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 m -81.42 -30.16 33.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -88.2 -56.58 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.036 HD11 HD22 ' A' ' 21' ' ' LEU . 45.6 mt -62.07 153.51 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.044 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' N ' HG22 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -136.6 -47.22 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -89.8 124.73 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.564 ' HB ' HD11 ' A' ' 62' ' ' ILE . 66.0 p -110.8 -29.63 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -30.37 64.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.011 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.28 -36.82 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 35' ' ' LEU . 13.9 mt -67.5 -38.92 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.94 -35.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.77 29.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -64.0 -32.91 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.603 HD11 ' HD1' ' A' ' 77' ' ' PHE . 20.9 mt -72.4 -33.28 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.31 -32.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -75.76 -31.32 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 4.6 m-80 -82.34 0.02 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.367 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t0 66.49 31.81 7.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 18.5 m-85 -98.28 -32.8 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.7 m-85 -113.99 151.92 31.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -118.14 169.03 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.44 69.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.35 -51.49 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.776 ' OD1' HD22 ' A' ' 65' ' ' LEU . 32.8 m-20 -63.95 -46.81 83.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.75 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -72.89 -41.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.5 t -59.44 -55.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.77 -29.22 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.0 49.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.381 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.2 m -55.08 148.03 31.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.87 -36.11 2.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.628 2.219 . . . . 0.0 112.367 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.4 p -124.7 -177.11 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.1 tp60 -75.6 -52.15 2.93 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.2 Cg_exo -49.94 -28.97 19.86 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.6 2.2 . . . . 0.0 112.382 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.31 -30.9 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -70.09 -39.36 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.9 t -61.56 -42.75 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -39.82 89.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -61.0 -43.21 99.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 59' ' ' VAL . 8.3 mt -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.983 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.524 HD21 HD13 ' A' ' 21' ' ' LEU . 66.1 mt -60.18 -45.31 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.3 -36.93 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.776 HD22 ' OD1' ' A' ' 45' ' ' ASP . 90.1 mt -67.25 -51.77 48.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 62' ' ' ILE . 22.0 t -59.4 -41.22 83.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -62.57 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -33.18 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.59 ' CD ' HG21 ' A' ' 73' ' ' VAL . 66.2 mttm -66.35 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.78 -169.3 29.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.549 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.8 -26.69 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -56.13 -33.84 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.59 HG21 ' CD ' ' A' ' 69' ' ' LYS . 21.5 t -102.74 -32.23 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -60.11 -37.62 80.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -63.66 -50.16 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.59 -42.48 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.603 ' HD1' HD11 ' A' ' 35' ' ' LEU . 53.0 t80 -60.84 -42.97 98.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' A' ' 81' ' ' LEU . 1.8 mt -73.49 -30.15 62.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.3 -40.45 97.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 mt -63.93 -32.64 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 78' ' ' LEU . 38.9 mt -60.18 -30.37 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -41.52 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -76.76 -31.0 56.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.9 -18.0 31.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.02 -29.19 28.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.87 -41.44 62.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -30.81 69.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -81.15 153.2 27.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 89' ' ' VAL . 15.6 t -110.13 29.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.6 -48.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.77 HD11 HG12 ' A' ' 25' ' ' ILE . 24.4 mt -70.51 116.38 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.447 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.4 ttt180 -177.56 -53.23 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.5 Cg_exo -62.59 -29.4 78.03 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.443 2.096 . . . . 0.0 112.215 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -73.67 -64.48 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.09 -32.4 61.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.09 -29.88 62.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.31 -53.28 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 pt -59.37 -29.89 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.9 53.18 9.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.92 124.98 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.33 95.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 p -176.6 147.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -116.52 -178.25 18.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.04 -168.78 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.308 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.9 m 60.33 96.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.8 p -118.76 141.99 48.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.511 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -82.2 91.57 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 t -125.08 161.84 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.61 44.84 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -164.98 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p -142.12 -47.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.06 107.11 2.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.737 ' CG ' HD12 ' A' ' 11' ' ' ILE . 29.4 m170 59.98 89.35 0.11 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.638 0.256 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.41 -22.04 39.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.583 2.189 . . . . 0.0 112.431 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -93.52 -37.76 11.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.004 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.737 HD12 ' CG ' ' A' ' 8' ' ' HIS . 27.9 mt -73.36 -32.38 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -39.19 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.22 -31.5 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 63' ' ' LEU . 61.7 mt -73.98 -45.01 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -70.89 -52.56 19.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -60.35 -36.47 78.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -115.22 40.33 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 21.2 ttm180 -73.87 -53.84 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -33.6 72.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 19.1 tp -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.69 HD22 HD11 ' A' ' 25' ' ' ILE . 13.8 mt -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.4 t -66.81 -31.26 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.2 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 m -88.61 -35.7 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.5 m-70 -74.21 -51.49 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 21' ' ' LEU . 46.5 mt -70.76 133.94 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.078 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.01 -49.76 2.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -95.61 122.05 37.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.85 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.2 p -96.4 -27.66 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -56.16 -36.88 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.71 -52.16 66.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 35' ' ' LEU . 3.3 mt -65.1 -31.5 72.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 28' ' ' THR . 28.0 t -75.95 -39.23 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.22 -48.71 77.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -65.52 -45.16 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.533 HD11 ' CD1' ' A' ' 77' ' ' PHE . 40.6 mt -59.9 -40.14 87.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -68.75 -41.91 78.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -60.47 -34.08 73.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.88 0.23 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.401 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.89 37.89 11.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -96.38 -50.54 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.517 ' CZ ' HG23 ' A' ' 62' ' ' ILE . 2.4 m-85 -87.26 119.91 27.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 m -67.72 178.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -37.1 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -45.26 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.7 m-20 -56.94 -48.34 78.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.49 67.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.261 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -39.86 68.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.87 -41.42 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.6 t -61.12 -59.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.67 -28.17 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.32 -22.47 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.8 m -55.15 156.08 7.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.54 -40.01 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.635 2.223 . . . . 0.0 112.467 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.2 p -128.29 -177.44 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.016 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.55 -53.29 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 76.5 Cg_exo -49.64 -26.83 13.6 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.473 2.115 . . . . 0.0 112.435 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.02 -34.12 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -67.31 -34.78 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.29 -50.35 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.557 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -65.81 -32.18 73.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -65.32 -45.31 84.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 8.0 mt -63.25 -43.75 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD23 HD22 ' A' ' 14' ' ' LEU . 8.4 mt -60.13 -37.88 81.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.08 -40.28 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.48 -55.2 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.8 t -57.46 -36.18 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.84 -29.66 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 t -85.63 -32.89 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HD2' HG11 ' A' ' 73' ' ' VAL . 31.2 mttm -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.69 -168.13 36.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.576 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -76.26 -28.0 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.438 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.9 t -92.38 -36.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.417 ' O ' HD12 ' A' ' 78' ' ' LEU . 28.9 t -60.16 -39.86 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.2 -44.98 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -66.82 -34.88 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.533 ' CD1' HD11 ' A' ' 35' ' ' LEU . 59.8 t80 -66.33 -49.06 68.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 74' ' ' SER . 0.4 OUTLIER -65.8 -31.03 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.3 -36.38 83.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -58.25 -27.05 63.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.999 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -80.81 -40.36 25.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -44.25 56.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.32 -18.86 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.26 -26.94 8.01 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.79 0.328 . . . . 0.0 111.427 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.37 -30.96 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -46.46 8.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.96 139.1 58.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.32 30.17 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 -57.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.42 114.62 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 3.7 ttt180 -168.28 -56.21 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 24.1 Cg_exo -63.34 -31.41 73.14 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.391 2.06 . . . . 0.0 111.959 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -72.57 -43.85 62.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.4 mt -58.96 -47.28 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.23 -31.43 69.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.44 -54.17 47.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.6 pt -75.89 -33.94 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.36 91.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 2.1 t80 -95.11 43.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 m -168.35 150.17 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.77 110.19 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -110.3 143.98 16.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.44 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.05 -44.37 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.494 2.13 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 t -90.85 170.11 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.6 m 60.64 37.36 19.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.492 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -100.95 -45.5 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.729 0.3 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -60.2 -57.79 11.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.36 -28.09 17.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m 60.72 165.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -172.09 -178.23 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.67 134.81 11.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.6 ' CG ' HD12 ' A' ' 11' ' ' ILE . 72.6 m-70 -150.85 79.08 7.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.687 0.279 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.46 -22.94 17.61 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.629 2.219 . . . . 0.0 112.713 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -93.7 -42.59 9.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.288 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.6 HD12 ' CG ' ' A' ' 8' ' ' HIS . 33.4 mt -70.87 -41.6 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.31 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -31.56 66.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 98' ' ' ILE . 62.2 mt -64.15 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.2 mt -81.16 -42.72 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -66.23 -53.62 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -44.86 95.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -101.08 36.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.699 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -74.14 -40.62 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -72.81 -32.79 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.48 -31.33 62.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 25' ' ' ILE . 19.0 mt -71.02 -31.26 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.0 t -76.49 -29.6 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -30.38 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -90.16 -58.33 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.779 HD11 HD22 ' A' ' 21' ' ' LEU . 43.5 mt -61.18 115.4 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -40.3 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -96.03 129.68 43.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 32' ' ' VAL . 36.0 p -107.31 -30.11 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.007 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.38 -30.5 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -41.41 93.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.82 -44.65 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 28' ' ' THR . 28.1 t -63.77 -40.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.019 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.46 -55.93 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -59.65 -44.53 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD11 ' HD1' ' A' ' 77' ' ' PHE . 6.2 mt -59.91 -30.73 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.98 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -66.47 -39.85 89.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.48 0.12 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.424 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.37 37.44 6.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -92.27 -34.23 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -108.38 123.52 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 m -77.42 167.13 22.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.52 72.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.44 -34.92 61.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.622 ' HA ' HD12 ' A' ' 48' ' ' ILE . 59.9 m-20 -68.4 -46.95 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -29.54 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.241 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.39 -38.04 86.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.7 mt -66.74 -42.59 89.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG11 ' CG1' ' A' ' 62' ' ' ILE . 22.0 t -65.09 -55.18 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -30.21 68.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.4 -23.31 56.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.5 m -55.2 144.24 51.26 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.77 -43.26 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.532 2.154 . . . . 0.0 112.381 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.1 p -109.28 173.21 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.01 -52.91 5.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 66.4 Cg_exo -50.88 -28.47 23.77 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.157 . . . . 0.0 112.325 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.28 -32.61 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -67.39 -41.0 85.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 62' ' ' ILE . 29.2 t -62.25 -42.43 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -66.31 -30.33 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppm? -73.35 -43.71 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.756 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.6 mt -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.2 -40.16 95.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.44 -46.44 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 62' ' ' ILE . 33.8 t -60.63 -36.14 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.04 -32.96 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 m -78.95 -32.01 45.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.714 ' HD2' HG11 ' A' ' 73' ' ' VAL . 51.5 mttm -60.27 -70.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.47 -177.8 36.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.615 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.15 -28.88 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -47.29 84.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.714 HG11 ' HD2' ' A' ' 69' ' ' LYS . 19.7 t -78.48 -30.29 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.446 ' O ' HD12 ' A' ' 78' ' ' LEU . 8.2 t -61.96 -33.63 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -73.49 -46.94 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.545 ' CE2' HD11 ' A' ' 80' ' ' LEU . 71.4 t80 -61.21 -39.63 90.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.466 ' HD1' HD11 ' A' ' 35' ' ' LEU . 64.3 t80 -63.83 -38.85 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -75.95 -29.95 58.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.52 -44.49 94.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.545 HD11 ' CE2' ' A' ' 76' ' ' PHE . 11.6 mt -60.04 -33.33 71.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.657 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 80.9 mt -58.73 -28.94 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.526 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.91 -56.78 3.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -58.48 -30.67 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.47 -11.99 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -49.87 -27.12 4.73 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.786 0.327 . . . . 0.0 111.527 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -29.01 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.12 54.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -85.89 -51.1 6.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 89' ' ' VAL . 15.9 t 65.62 15.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.273 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.42 -28.9 6.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 111.061 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.485 HD11 HG12 ' A' ' 25' ' ' ILE . 4.3 mt -96.41 26.19 4.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -82.55 -52.54 0.68 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.734 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 92' ' ' ARG . 53.0 Cg_exo -54.58 -29.97 63.09 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.492 2.128 . . . . 0.0 112.062 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.428 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 23.1 t90 -71.32 -36.33 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.818 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.526 HD13 ' HG2' ' A' ' 82' ' ' GLN . 27.6 mt -66.83 -51.48 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.81 -31.37 70.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -66.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.579 HG21 HD22 ' A' ' 13' ' ' LEU . 39.4 pt -65.2 -30.86 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.52 63.74 1.99 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 15.8 t80 -63.52 -38.0 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.0 p -115.26 98.27 6.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.6 p -93.55 177.59 5.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.09 145.29 15.93 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.91 162.87 39.94 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.568 2.179 . . . . 0.0 112.33 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -109.6 -38.23 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.49 135.73 38.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.517 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 t -92.23 95.07 9.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -116.17 125.34 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.6 -44.57 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -70.31 87.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -66.02 -42.7 89.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.72 -84.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.466 ' CG ' HD12 ' A' ' 11' ' ' ILE . 35.5 m80 -146.31 86.91 6.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.77 -25.76 21.79 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.605 2.203 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -82.72 -45.75 14.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD12 ' CG ' ' A' ' 8' ' ' HIS . 28.3 mt -73.09 -34.64 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 13' ' ' LEU . 12.4 mt -60.06 -41.13 91.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.69 ' HB3' HD22 ' A' ' 63' ' ' LEU . 46.7 mt -70.71 -47.06 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -63.22 -35.89 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -76.44 -46.99 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -97.54 38.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.812 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.7 ttm180 -74.16 -48.2 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -64.24 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 tp -80.24 -33.28 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.954 HD22 HD11 ' A' ' 25' ' ' ILE . 13.5 mt -68.16 -32.31 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.3 t -67.35 -29.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -84.43 -50.65 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.048 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -62.3 -57.18 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.954 HD11 HD22 ' A' ' 21' ' ' LEU . 37.8 mt -62.33 133.31 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -121.31 -54.65 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -93.01 125.15 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' VAL . 81.6 p -102.03 -25.65 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -55.74 -35.67 66.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -50.01 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.78 -31.5 72.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' THR . 25.0 t -76.58 -39.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.712 HD13 ' CE1' ' A' ' 41' ' ' PHE . 19.9 mt -59.96 -31.45 69.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.4 -42.49 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -32.85 73.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.442 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.1 m-80 -83.3 0.06 47.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.392 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.95 38.36 6.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 11.1 m-85 -99.17 -60.2 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.712 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.8 m-85 -75.96 126.05 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -70.84 168.2 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.47 80.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -71.14 -38.01 72.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.607 ' OD1' HD22 ' A' ' 65' ' ' LEU . 59.4 m-20 -59.06 -45.18 91.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.56 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.41 -31.48 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.423 HG22 ' CG ' ' A' ' 61' ' ' LYS . 44.6 mt -72.21 -36.09 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.4 t -71.13 -40.62 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.7 m -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.02 -24.72 40.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.393 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.57 146.98 52.75 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.94 -41.8 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.592 2.195 . . . . 0.0 112.381 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.1 p -118.39 -177.41 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -74.68 -53.13 3.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 75.3 Cg_exo -49.53 -35.89 38.32 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.59 2.194 . . . . 0.0 112.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -34.19 77.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -61.34 -50.34 73.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 t -54.05 -30.63 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -31.27 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CG ' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -78.1 -45.45 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 67.5 mt -55.16 -39.55 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.69 HD22 ' HB3' ' A' ' 14' ' ' LEU . 92.1 mt -65.52 -41.0 93.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.607 HD22 ' OD1' ' A' ' 45' ' ' ASP . 72.5 mt -62.25 -59.05 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.756 HG13 HG12 ' A' ' 73' ' ' VAL . 26.0 t -59.94 -40.08 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.06 -34.28 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -32.95 56.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.498 ' HD2' HG11 ' A' ' 73' ' ' VAL . 38.0 mttm -60.49 -75.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.49 -162.93 34.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.29 -28.71 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.74 -30.47 65.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.756 HG12 HG13 ' A' ' 66' ' ' VAL . 21.5 t -104.67 -32.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -63.54 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -77.25 -49.43 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.6 -43.22 93.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 35' ' ' LEU . 45.3 t80 -59.67 -52.21 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.815 ' HA ' HD12 ' A' ' 81' ' ' LEU . 6.6 mt -63.86 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.53 -38.13 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 77' ' ' PHE . 6.8 mt -60.15 -35.13 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 78' ' ' LEU . 6.0 mt -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -50.19 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.64 -12.42 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.415 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -52.68 -29.62 27.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 111.326 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.84 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -78.68 155.82 29.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.02 -37.4 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.48 -58.74 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.83 115.35 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.443 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.7 mmm-85 -177.28 -53.06 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.443 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 17.8 Cg_exo -66.29 -32.0 42.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 0.0 112.083 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.478 ' HZ3' HD13 ' A' ' 81' ' ' LEU . 25.8 t90 -59.27 -45.78 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.08 -49.5 71.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.5 -29.62 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.25 -52.25 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -73.37 -37.68 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.46 77.17 1.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.15 35.44 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -138.97 165.87 25.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.9 t -164.76 130.74 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.4 170.08 35.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.548 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 129.42 17.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 p -171.2 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.16 178.23 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.519 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.517 ' CG ' HD12 ' A' ' 11' ' ' ILE . 14.4 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -24.01 39.98 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.59 2.193 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -91.3 -42.6 10.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.209 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.622 HG22 ' CE ' ' A' ' 15' ' ' LYS . 28.8 mt -70.58 -37.98 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.36 -34.99 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.37 -31.51 72.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.58 -41.05 47.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.622 ' CE ' HG22 ' A' ' 11' ' ' ILE . 8.6 mttm -71.42 -45.59 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -100.83 31.41 3.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.803 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.5 ttm180 -67.06 -30.79 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.54 -30.19 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD11 ' NE2' ' A' ' 24' ' ' HIS . 6.2 tp -79.5 -37.02 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.055 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.468 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 25.5 mt -64.29 -32.07 73.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 18' ' ' ARG . 29.7 t -73.65 -24.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -92.32 -29.25 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.411 ' NE2' HD11 ' A' ' 20' ' ' LEU . 1.7 m-70 -86.93 -52.47 5.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.031 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.458 HD11 HD22 ' A' ' 21' ' ' LEU . 41.5 mt -66.78 142.4 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -130.93 -46.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.05 114.56 20.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.9 p -105.82 -33.83 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -38.37 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.6 -41.13 98.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.651 HD22 ' CE1' ' A' ' 77' ' ' PHE . 10.2 mt -63.18 -31.79 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.609 HG12 ' CD1' ' A' ' 36' ' ' LEU . 21.6 t -81.44 -40.24 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -60.32 -37.32 80.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -77.43 -35.29 54.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.618 HD13 ' CE1' ' A' ' 41' ' ' PHE . 26.7 mt -74.88 -31.66 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.609 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.1 mt -67.23 -41.88 84.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -71.77 -30.99 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -82.57 0.07 44.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.329 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 65.02 52.99 1.44 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -119.5 -42.03 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 35' ' ' LEU . 5.0 m-85 -107.6 123.13 48.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -82.44 172.47 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.96 73.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -73.14 -52.43 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.49 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.197 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.94 -31.11 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mt -75.15 -41.47 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.2 t -61.06 -57.25 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.02 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.99 -30.7 69.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.29 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 m -54.7 150.54 17.79 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.013 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.32 -36.17 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.624 2.216 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.5 p -135.21 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -70.25 -52.34 12.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -48.93 -27.02 10.89 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.458 2.105 . . . . 0.0 112.301 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.42 -35.08 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.09 -47.01 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -65.53 -33.63 76.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -67.92 -45.87 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.7 mt -62.96 -43.05 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 60' ' ' ARG . 25.6 mt -58.86 -42.94 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.1 -34.48 78.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.8 mt -68.07 -52.46 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.7 t -56.67 -39.6 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.76 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -34.67 64.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.609 ' HD2' HG11 ' A' ' 73' ' ' VAL . 19.2 mttm -65.84 -65.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.23 -169.94 30.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.61 -26.42 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.324 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.45 -47.41 79.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.609 HG11 ' HD2' ' A' ' 69' ' ' LYS . 29.4 t -85.62 -33.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.433 ' O ' HD12 ' A' ' 78' ' ' LEU . 2.8 t -60.64 -34.2 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.35 -38.01 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CE2' HD11 ' A' ' 80' ' ' LEU . 67.8 t80 -75.94 -42.84 47.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.651 ' CE1' HD22 ' A' ' 31' ' ' LEU . 61.0 t80 -60.84 -42.46 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 74' ' ' SER . 1.0 OUTLIER -71.09 -30.46 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.54 -41.22 93.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 76' ' ' PHE . 10.3 mt -59.38 -30.21 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 26.0 mt -65.45 -28.69 69.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -82.87 -59.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.054 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.9 mt -91.32 -22.27 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -49.1 -28.31 4.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -29.49 67.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.69 39.19 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.43 ' CD2' HD12 ' A' ' 91' ' ' LEU . 3.7 m-85 -130.0 172.06 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 90' ' ' ASP . 25.4 m -124.7 -44.81 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 89' ' ' VAL . 3.6 t0 -76.8 -31.38 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 88' ' ' TYR . 32.3 mt -96.2 117.57 31.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.417 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.36 -61.42 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HA ' HD12 ' A' ' 96' ' ' LEU . 40.8 Cg_endo -67.11 -26.37 42.86 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.401 2.067 . . . . 0.0 112.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.468 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 26.2 t90 -65.82 -52.79 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.19 -33.83 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 93' ' ' PRO . 10.6 mt -69.26 -29.37 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.35 -48.56 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.6 pt -74.39 -34.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.68 89.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 10.3 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.663 ' ND1' HD12 ' A' ' 11' ' ' ILE . 26.3 m80 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.488 0.185 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.21 -23.18 22.11 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.483 2.122 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -89.18 -42.12 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.663 HD12 ' ND1' ' A' ' 8' ' ' HIS . 25.0 mt -75.59 -41.29 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.17 -37.86 75.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.4 -31.13 71.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD22 ' CD2' ' A' ' 63' ' ' LEU . 72.4 mt -80.4 -39.94 27.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -68.76 -33.35 73.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -81.67 -45.37 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.53 45.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -79.2 -50.95 10.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.49 -30.23 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.38 -34.29 67.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 25' ' ' ILE . 18.2 mt -72.82 -30.64 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.0 t -68.23 -30.0 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.244 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -86.23 -27.11 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -85.02 -48.98 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 21' ' ' LEU . 41.1 mt -70.1 131.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -105.8 -54.24 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.48 129.24 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 59' ' ' VAL . 40.5 p -112.26 -34.41 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -34.66 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.93 -44.78 96.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 77' ' ' PHE . 17.5 mt -64.0 -43.42 95.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -66.64 -33.47 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.58 -52.06 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -64.18 -37.09 86.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 41' ' ' PHE . 42.4 mt -67.53 -31.45 71.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.63 -39.57 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -34.33 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.415 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 8.1 m-80 -82.58 0.08 44.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.55 38.16 4.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 8.5 m-85 -98.85 -43.56 6.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.7 m-85 -93.26 168.06 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.34 170.62 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.04 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.32 -44.68 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.781 ' OD1' HD22 ' A' ' 65' ' ' LEU . 33.5 m-20 -62.15 -49.44 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.02 -30.07 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 2.3 tt0 -66.85 -33.68 76.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.403 HG21 ' HD2' ' A' ' 61' ' ' LYS . 21.6 mt -74.09 -39.12 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.9 -63.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -58.36 -28.61 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.19 -23.7 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.354 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.2 m -55.41 148.74 31.47 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.575 2.183 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.8 p -122.07 178.17 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -76.35 -53.64 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.48 -27.85 19.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.538 2.159 . . . . 0.0 112.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -33.34 64.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -65.36 -34.22 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.673 HG11 ' HA ' ' A' ' 22' ' ' VAL . 27.8 t -63.01 -36.58 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HA ' HD12 ' A' ' 63' ' ' LEU . 3.4 ttt180 -72.7 -30.99 64.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HD2' HG21 ' A' ' 48' ' ' ILE . 2.4 tppm? -73.31 -42.1 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.768 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.4 mt -66.52 -30.34 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.55 ' CD2' HD22 ' A' ' 14' ' ' LEU . 17.2 mt -73.45 -43.77 59.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.98 -37.23 86.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD22 ' OD1' ' A' ' 45' ' ' ASP . 85.2 mt -70.13 -55.62 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.887 HG13 HG12 ' A' ' 73' ' ' VAL . 27.0 t -59.51 -31.59 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -74.96 -39.61 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -66.31 -34.04 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.646 ' HD3' HG21 ' A' ' 73' ' ' VAL . 31.8 mttm -60.75 -75.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.07 -163.4 36.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' CD2' ' A' ' 8' ' ' HIS . 6.0 mt-10 -74.42 -27.77 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -40.74 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.978 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.887 HG12 HG13 ' A' ' 66' ' ' VAL . 21.6 t -94.84 -30.82 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 78' ' ' LEU . 12.7 t -60.71 -38.8 86.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -68.54 -46.28 69.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -60.56 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.444 ' CE1' HD22 ' A' ' 31' ' ' LEU . 44.3 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 74' ' ' SER . 1.1 mt -76.33 -31.3 58.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.3 -38.63 90.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.72 -33.45 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -59.94 -31.02 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.628 ' HG3' HD22 ' A' ' 95' ' ' LEU . 7.2 mt-30 -80.12 -40.75 26.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -45.98 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mt -71.72 -19.75 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.13 -25.98 10.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.4 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.99 -50.48 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.18 -36.01 27.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -62.54 -177.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 90' ' ' ASP . 15.2 m -145.15 -46.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 89' ' ' VAL . 62.6 m-20 -58.62 -29.9 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 HG12 ' A' ' 25' ' ' ILE . 17.9 mt -103.82 125.34 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 3.6 mtp180 179.9 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 48.6 Cg_endo -69.09 -26.69 30.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.403 2.069 . . . . 0.0 112.378 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.628 HD22 ' HG3' ' A' ' 82' ' ' GLN . 15.9 mt -69.36 -46.07 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.75 -30.83 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.37 -56.78 4.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -61.58 -33.07 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.63 73.53 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.425 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.468 ' CG ' HD12 ' A' ' 11' ' ' ILE . 22.6 m80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.694 0.283 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 -23.84 19.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.513 2.142 . . . . 0.0 112.484 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -90.2 -43.92 10.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.785 HG22 ' HE3' ' A' ' 15' ' ' LYS . 27.6 mt -72.67 -36.23 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.07 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.5 mt -80.36 -45.17 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.785 ' HE3' HG22 ' A' ' 11' ' ' ILE . 21.0 mttt -60.11 -48.33 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -41.22 76.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -105.4 40.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 ttm180 -72.48 -59.42 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.49 -31.4 70.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.9 tp -66.87 -32.71 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.636 HD22 HD11 ' A' ' 25' ' ' ILE . 44.0 mt -78.46 -31.29 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 18' ' ' ARG . 26.7 t -63.19 -30.16 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -93.4 -35.34 13.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.416 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.9 m-70 -69.67 -57.92 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.636 HD11 HD22 ' A' ' 21' ' ' LEU . 38.9 mt -73.84 123.22 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -33.49 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -98.87 110.8 23.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -98.54 -30.73 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -57.75 -38.86 76.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -38.64 82.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -50.24 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.23 -38.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.57 81.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -67.71 -42.46 81.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.13 -37.0 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.3 mt -71.6 -45.56 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -61.41 -37.75 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -82.46 0.15 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.406 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.19 61.01 0.93 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.001 0.429 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -119.35 -48.2 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -93.31 -177.92 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -134.08 167.18 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.13 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.172 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -67.89 -41.56 82.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.586 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.2 m-20 -63.51 -51.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.76 71.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -41.19 92.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.1 mt -66.88 -37.46 79.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.5 t -59.54 -55.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.35 -23.13 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.5 m -54.76 147.81 29.72 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.85 -43.88 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.406 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.6 p -115.69 -176.75 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -77.36 -53.32 1.64 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 74.7 Cg_exo -50.44 -30.13 26.38 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.566 2.177 . . . . 0.0 112.362 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -35.32 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -64.3 -44.45 91.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.535 HG11 ' HA ' ' A' ' 22' ' ' VAL . 14.4 t -61.26 -30.84 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.31 -34.04 55.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -68.04 -39.26 83.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.05 -47.09 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.31 -37.19 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.74 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.52 HD22 ' OD2' ' A' ' 45' ' ' ASP . 52.1 mt -68.61 -55.03 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 73' ' ' VAL . 38.2 t -58.49 -38.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.63 ' HG2' HG23 ' A' ' 11' ' ' ILE . 58.7 mt-30 -63.21 -30.15 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 m -87.25 -30.88 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.71 ' HD2' HG11 ' A' ' 73' ' ' VAL . 58.4 mttm -59.7 -49.5 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.73 176.44 18.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.517 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.36 -29.17 69.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.706 0.289 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.82 -56.97 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.71 HG11 ' HD2' ' A' ' 69' ' ' LYS . 16.8 t -66.4 -30.82 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.3 t -60.94 -47.88 84.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.99 -43.05 99.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 80' ' ' LEU . 58.9 t80 -65.08 -37.02 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -69.18 -31.65 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 81' ' ' LEU . 16.3 mt -85.91 -30.4 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -39.45 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 76' ' ' PHE . 6.7 mt -68.09 -30.88 70.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.765 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 36.0 mt -59.27 -29.4 67.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.561 ' HA ' HD13 ' A' ' 95' ' ' LEU . 10.8 tt0 -78.44 -45.93 21.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.067 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -49.32 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.8 mt -74.58 -15.49 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -50.58 -27.65 7.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.78 0.324 . . . . 0.0 111.406 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -31.95 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.91 -35.43 24.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -79.08 161.05 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.86 27.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.44 -38.7 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.033 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 25' ' ' ILE . 1.4 mt -96.37 31.31 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.442 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.34 -52.13 5.38 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 94.7 Cg_endo -80.35 -25.29 4.83 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.604 2.203 . . . . 0.0 112.384 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -57.36 -61.57 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 82' ' ' GLN . 6.3 mt -56.91 -34.42 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.38 -30.62 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.58 -68.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 99' ' ' GLY . 18.3 pt -59.26 -29.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 98' ' ' ILE . . . 59.45 91.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.566 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.5 ' CG ' HD12 ' A' ' 11' ' ' ILE . 75.2 m80 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.453 0.168 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.59 -27.14 32.99 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.404 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -83.31 -43.69 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.5 HD12 ' CG ' ' A' ' 8' ' ' HIS . 28.0 mt -73.36 -39.0 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.84 -30.59 69.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt -59.96 -31.46 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 63' ' ' LEU . 37.3 mt -81.16 -42.7 20.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' HE3' HG22 ' A' ' 11' ' ' ILE . 57.9 mttt -61.53 -47.08 87.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -69.57 -38.19 77.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -107.99 38.41 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.0 ttm-85 -71.02 -56.01 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.51 -30.7 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.05 -43.67 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 25' ' ' ILE . 13.0 mt -59.35 -31.86 69.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -60.86 -30.4 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 m -85.72 -37.38 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -71.79 -47.82 50.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 21' ' ' LEU . 33.4 mt -75.57 120.79 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -104.81 -39.57 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -98.01 130.74 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 21.4 p -110.21 -31.81 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -31.67 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -65.49 -39.01 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.32 -43.99 65.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 28' ' ' THR . 31.0 t -68.03 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.44 -51.53 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -67.45 -44.22 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.666 HD13 ' CE1' ' A' ' 41' ' ' PHE . 35.9 mt -59.39 -31.99 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.25 -45.78 53.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -66.03 -33.65 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -82.01 0.13 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.42 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 62.96 44.67 5.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -107.69 -37.02 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.666 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.6 m-85 -105.36 133.95 49.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -77.28 163.82 26.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.33 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -37.98 81.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.628 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.6 m-20 -59.33 -49.18 78.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.73 -30.44 64.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 45' ' ' ASP . 17.5 mt -74.86 -32.14 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.95 -47.9 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -26.79 68.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -26.47 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.353 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.0 147.15 65.78 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.35 -37.36 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.593 2.195 . . . . 0.0 112.537 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.3 p -127.43 -177.77 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.52 -53.65 5.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 79.9 Cg_exo -47.81 -27.46 8.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.594 2.196 . . . . 0.0 112.347 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.52 -31.73 29.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -67.09 -44.55 79.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.652 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.5 t -58.36 -33.9 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.25 -37.64 71.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -66.54 -35.74 80.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 59' ' ' VAL . 14.0 mt -69.24 -46.51 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 14' ' ' LEU . 9.2 mt -58.62 -40.54 83.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.43 -36.7 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.6 -56.87 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.508 HG13 HG12 ' A' ' 73' ' ' VAL . 34.7 t -58.37 -31.93 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -68.15 -30.62 69.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -88.17 -29.85 20.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HD2' HG11 ' A' ' 73' ' ' VAL . 18.2 mttm -57.89 -53.6 56.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.21 -160.89 27.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.565 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.7 -29.76 25.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.32 -31.35 67.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.739 HG11 ' HD2' ' A' ' 69' ' ' LYS . 19.9 t -99.33 -30.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 t -67.02 -36.8 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -73.42 -36.2 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.837 ' CE2' HD11 ' A' ' 80' ' ' LEU . 46.5 t80 -73.64 -40.97 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -61.27 -35.43 77.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 81' ' ' LEU . 87.2 mt -80.7 -30.85 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -40.14 79.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.837 HD11 ' CE2' ' A' ' 76' ' ' PHE . 5.9 mt -59.94 -39.22 84.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.786 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 24.9 mt -59.24 -29.63 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -44.43 62.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -74.69 -56.63 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.12 -19.32 61.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -50.2 -26.77 4.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.483 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.31 -28.96 57.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.89 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.441 ' CD2' HD12 ' A' ' 91' ' ' LEU . 51.7 m-85 -72.8 154.76 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.53 -30.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.91 -44.44 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 88' ' ' TYR . 4.2 mt -81.42 121.39 26.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.26 -60.19 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.16 -27.39 11.78 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.576 2.184 . . . . 0.0 112.383 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -62.92 -59.0 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.52 -47.29 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -29.35 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -77.33 -49.08 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 pt -70.43 -25.99 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.46 77.11 0.3 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.4 m80 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.58 -25.39 14.52 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.551 2.167 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -82.77 -54.71 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.63 -32.37 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -31.58 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.7 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 63' ' ' LEU . 10.3 mt -81.51 -44.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -63.14 -42.24 99.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.56 -41.06 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.15 37.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.713 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.9 ttm105 -72.54 -39.22 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.73 -31.26 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -41.71 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 63' ' ' LEU . 39.4 mt -60.19 -36.38 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.1 t -63.33 -30.62 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.035 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -88.14 -30.92 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -77.2 -60.61 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 26' ' ' ARG . 20.7 mt -71.6 155.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' N ' HG22 ' A' ' 25' ' ' ILE . 36.3 ttt-85 -143.17 -47.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.79 81.42 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' VAL . 44.9 p -71.95 -28.27 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -56.56 -30.46 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.8 m -71.63 -45.7 61.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.408 HD11 HG21 ' A' ' 25' ' ' ILE . 27.3 mt -60.89 -43.76 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -68.77 -33.97 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -52.64 64.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' A' ' 41' ' ' PHE . 24.4 mt -66.1 -36.97 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -67.74 -45.0 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 2.4 m-80 -82.25 -0.06 43.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.436 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 62.6 39.02 11.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.872 0.367 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 14.5 m-85 -98.84 -49.84 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.8 m-85 -83.44 129.03 34.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -71.28 159.28 34.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.23 -31.78 60.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 48' ' ' ILE . 37.6 m-20 -66.65 -44.82 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.85 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -69.23 -30.64 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 45' ' ' ASP . 22.2 mt -74.19 -40.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -59.77 -63.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -29.54 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.59 -22.3 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.5 146.44 33.78 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.46 -34.95 2.38 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.604 2.203 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.0 p -124.87 173.63 8.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.07 -52.21 7.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.5 Cg_exo -50.08 -27.4 16.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.191 . . . . 0.0 112.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -36.29 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -63.85 -42.44 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.5 t -59.07 -37.55 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -73.99 -30.5 62.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppm? -72.18 -40.81 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.868 ' O ' HG23 ' A' ' 66' ' ' VAL . 14.4 mt -69.59 -39.86 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.522 ' CD2' HD22 ' A' ' 14' ' ' LEU . 39.4 mt -68.1 -41.03 82.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.56 -34.16 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.68 -46.77 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 62' ' ' ILE . 34.2 t -60.21 -31.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -70.25 -31.4 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.9 t -76.83 -32.9 57.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.543 ' HD3' HG21 ' A' ' 73' ' ' VAL . 56.5 mttm -61.85 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.94 -158.17 27.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.62 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.07 -39.19 74.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.543 HG21 ' HD3' ' A' ' 69' ' ' LYS . 20.2 t -94.41 -31.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 t -60.98 -38.53 86.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.56 -48.1 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 80' ' ' LEU . 50.9 t80 -59.64 -43.44 93.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -63.46 -41.52 98.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' A' ' 81' ' ' LEU . 17.2 mt -73.82 -35.52 64.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.2 -41.56 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 76' ' ' PHE . 9.1 mt -61.72 -46.91 87.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.676 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 11.8 mt -59.06 -29.5 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.517 ' HA ' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -73.7 -53.21 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.005 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -30.05 68.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.3 mt -92.21 -9.1 43.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.429 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -55.61 -30.11 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -31.31 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.23 -47.11 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -66.38 156.08 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -109.8 28.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.85 -44.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.74 132.5 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 176.79 -57.99 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.08 -13.37 15.65 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.599 2.2 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -79.66 -53.91 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 82' ' ' GLN . 5.8 mt -61.71 -47.45 85.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -31.75 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -63.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.77 -28.89 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.05 80.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.838 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 m80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.649 0.261 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.77 -26.04 22.61 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.613 2.209 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.594 ' O ' HD11 ' A' ' 78' ' ' LEU . 17.1 m80 -77.81 -59.53 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.472 HG23 ' HG2' ' A' ' 67' ' ' GLN . 35.3 mt -67.05 -40.54 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.33 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.12 -30.44 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.536 ' HA ' HD11 ' A' ' 21' ' ' LEU . 15.8 mt -82.06 -44.35 16.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -65.43 -54.25 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -46.69 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -97.84 37.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.6 ttm180 -64.3 -52.76 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -63.76 -32.86 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.01 -33.9 74.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.681 HD13 ' CD2' ' A' ' 63' ' ' LEU . 10.1 mt -69.7 -31.46 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -72.55 -30.93 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -83.46 -42.9 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.16 -56.62 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.415 ' CD1' HD21 ' A' ' 81' ' ' LEU . 30.7 mt -76.43 124.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -118.04 -40.83 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -83.93 102.76 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 p -92.55 -31.44 15.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -59.53 -35.19 73.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.98 -43.87 70.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.26 -45.74 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -67.46 -35.98 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.09 -45.89 91.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -68.46 -44.78 74.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 41' ' ' PHE . 61.8 mt -58.47 -31.39 67.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.4 -43.99 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -71.5 -30.19 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -81.46 0.21 38.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.24 48.79 3.52 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' HD2' HG13 ' A' ' 73' ' ' VAL . 22.1 m-85 -115.19 -41.86 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.775 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.683 ' CE1' HD13 ' A' ' 35' ' ' LEU . 4.7 m-85 -107.36 152.31 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -105.67 172.07 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.76 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.83 -42.44 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.692 ' HA ' HD12 ' A' ' 48' ' ' ILE . 52.5 m-20 -59.93 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -30.52 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.9 mt-10 -70.33 -32.69 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 45' ' ' ASP . 11.0 mt -74.01 -46.94 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.3 -57.11 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.7 m -59.5 -30.44 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -59.6 -20.53 56.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.333 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.3 m -52.05 157.78 2.04 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.29 -38.24 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -132.71 -177.49 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -71.24 -53.07 8.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.6 Cg_exo -50.23 -27.74 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.543 2.162 . . . . 0.0 112.391 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.88 -31.17 40.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -64.97 -47.67 76.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 28' ' ' THR . 32.4 t -59.65 -35.07 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 tppm? -74.71 -39.59 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 33.2 mt -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.681 ' CD2' HD13 ' A' ' 21' ' ' LEU . 16.2 mt -61.77 -41.12 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -35.54 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -68.28 -58.32 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.749 HG13 HG12 ' A' ' 73' ' ' VAL . 24.3 t -54.38 -34.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 11' ' ' ILE . 68.2 mt-30 -67.25 -26.05 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.38 -31.65 20.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.679 ' HD2' HG11 ' A' ' 73' ' ' VAL . 26.7 mttt -59.92 -67.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 156.12 -177.3 33.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.31 -30.06 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -30.72 66.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.749 HG12 HG13 ' A' ' 66' ' ' VAL . 18.6 t -97.95 -32.67 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.566 ' O ' HD12 ' A' ' 78' ' ' LEU . 28.8 t -66.15 -30.57 71.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -79.04 -29.07 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.01 -45.92 17.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 35' ' ' LEU . 14.7 t80 -58.95 -51.7 68.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 10' ' ' HIS . 13.3 mt -59.94 -30.86 69.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -37.93 86.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.45 -31.56 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.782 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 58.3 mt -69.11 -30.0 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -75.73 -44.79 40.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -76.22 -51.13 12.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.44 -13.15 62.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.782 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -52.99 -29.05 26.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.732 0.301 . . . . 0.0 111.276 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -30.63 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.56 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.525 ' CG ' HD12 ' A' ' 91' ' ' LEU . 79.0 m-85 -74.97 151.37 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -102.58 -34.39 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -30.32 61.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 88' ' ' TYR . 3.0 mt -96.43 123.76 40.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.408 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -178.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 72.2 Cg_endo -76.45 -31.22 4.59 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -58.89 -53.79 54.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.54 -30.84 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.9 mt -80.16 -29.81 38.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.78 -61.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.9 pt -58.93 -31.61 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.76 77.57 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.696 ' CG ' HD12 ' A' ' 11' ' ' ILE . 22.1 m170 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.642 0.258 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.15 -18.27 35.29 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.577 2.185 . . . . 0.0 112.573 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -99.92 -35.56 9.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.024 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 8' ' ' HIS . 25.7 mt -76.98 -32.16 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -36.0 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.39 -31.83 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD22 ' CD2' ' A' ' 63' ' ' LEU . 30.7 mt -73.6 -47.85 37.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -63.02 -51.41 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -64.03 -37.87 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -114.28 54.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.2 ttm-85 -88.0 -51.32 5.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -31.06 70.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 8.9 tp -71.8 -31.35 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 21' ' ' LEU . 16.7 mt -73.33 -31.67 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 59' ' ' VAL . 31.6 t -67.09 -29.2 45.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.7 m -84.51 -49.14 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.413 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -60.32 -53.57 56.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.45 135.89 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.75 -40.24 3.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -106.02 137.67 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.492 HG21 ' HB2' ' A' ' 58' ' ' LYS . 7.7 p -109.2 -34.81 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.57 -30.69 68.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.62 -49.32 78.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.2 mt -65.95 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -67.12 -30.92 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.23 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -70.87 -34.35 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -85.32 -31.07 23.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.662 HD11 ' HD1' ' A' ' 77' ' ' PHE . 8.5 mt -76.08 -31.52 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.98 -36.53 72.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -60.1 -40.33 89.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 68.3 m-80 -82.81 0.12 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.419 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 65.02 37.61 6.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -90.08 -39.74 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CD1' ' HE3' ' A' ' 69' ' ' LYS . 1.5 m-85 -96.66 131.46 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.3 m -73.26 168.13 19.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.91 76.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.59 -38.22 83.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.81 -48.52 78.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.69 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -30.41 70.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.3 -39.38 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.27 -52.61 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.03 -29.47 69.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.57 46.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.451 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.26 144.33 51.52 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.061 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.07 -39.16 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.645 2.23 . . . . 0.0 112.42 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.4 p -122.52 -177.35 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 2.3 tp60 -74.87 -53.27 3.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.049 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 73.5 Cg_exo -49.48 -27.63 14.5 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.529 2.153 . . . . 0.0 112.3 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.12 -36.08 61.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HB2' HG21 ' A' ' 28' ' ' THR . 3.1 mtpp -64.78 -51.46 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.7 t -55.15 -29.18 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.25 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -29.71 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -42.94 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.849 ' O ' HG23 ' A' ' 66' ' ' VAL . 62.3 mt -59.45 -42.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.548 ' CD2' HD22 ' A' ' 14' ' ' LEU . 25.7 mt -60.21 -42.42 95.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -31.27 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -75.86 -45.05 37.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 62' ' ' ILE . 25.6 t -58.53 -38.28 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.558 ' HG2' HG23 ' A' ' 11' ' ' ILE . 44.1 mt-30 -65.44 -30.44 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -76.59 -33.08 58.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HD2' HG11 ' A' ' 73' ' ' VAL . 60.2 mttm -67.3 -41.07 86.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.45 178.5 16.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.564 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.22 -26.32 68.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.14 -32.33 64.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.456 HG11 ' HD2' ' A' ' 69' ' ' LYS . 20.3 t -102.93 -29.52 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.72 -38.62 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.9 -43.2 75.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -66.76 -39.56 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.662 ' HD1' HD11 ' A' ' 35' ' ' LEU . 39.2 t80 -60.15 -49.34 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -30.98 70.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.52 -35.64 80.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.69 -36.07 78.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.17 -31.2 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.54 -41.61 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.47 -44.37 67.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 84' ' ' LEU . 18.1 mt -69.28 -13.96 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.56 -26.53 13.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.416 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.0 -30.7 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.09 -32.85 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.9 123.49 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -100.45 31.41 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.15 -46.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mt -80.73 122.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.507 ' HA ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -179.49 -52.56 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.7 Cg_exo -62.58 -30.38 79.22 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.498 2.132 . . . . 0.0 112.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -76.38 -46.73 26.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 92' ' ' ARG . 6.9 mt -56.79 -31.12 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.73 -30.33 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.02 -57.41 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.78 -28.84 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.7 88.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.754 ' CG ' HD12 ' A' ' 11' ' ' ILE . 30.5 m170 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.691 0.281 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.2 -28.04 40.32 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -80.36 -42.25 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.754 HD12 ' CG ' ' A' ' 8' ' ' HIS . 36.4 mt -74.42 -38.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -61.91 -31.2 71.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.44 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 21' ' ' LEU . 71.4 mt -81.73 -48.72 11.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.002 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -61.63 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.3 t -86.43 -45.61 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -100.14 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.827 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.6 ttm180 -77.37 -31.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.52 -32.18 58.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.1 tp -76.23 -32.55 58.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 25' ' ' ILE . 47.5 mt -71.18 -36.16 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.9 t -73.34 -30.07 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -83.01 -30.27 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -89.71 -55.07 3.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.962 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.57 HD11 HD22 ' A' ' 21' ' ' LEU . 37.3 mt -66.49 116.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.108 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -109.4 -34.42 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.91 110.0 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 p -96.68 -41.21 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -56.19 -29.7 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -69.55 -38.75 77.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 77' ' ' PHE . 10.7 mt -75.5 -35.51 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 28' ' ' THR . 21.9 t -71.76 -32.87 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.04 -54.07 43.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -59.72 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.677 HD13 ' CE1' ' A' ' 41' ' ' PHE . 70.1 mt -59.84 -31.23 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD11 HG12 ' A' ' 32' ' ' VAL . 19.0 mt -76.0 -46.8 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -63.83 -32.15 73.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.7 0.12 44.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.359 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.2 58.68 1.12 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -121.83 -42.95 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.677 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.5 m-85 -97.05 145.12 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -90.92 168.19 11.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -31.31 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -78.12 -30.86 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' OD2' HD22 ' A' ' 65' ' ' LEU . 1.3 m-20 -75.08 -47.04 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.22 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -64.46 -32.76 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mt -72.59 -31.52 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.09 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.72 -51.75 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.69 -31.51 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.66 -20.87 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.351 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.5 m -54.57 138.16 61.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.4 -31.53 3.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.546 2.164 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.3 p -122.9 178.75 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 4.8 tp60 -76.75 -51.04 2.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 71.8 Cg_exo -48.79 -27.0 10.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.147 . . . . 0.0 112.409 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.61 -35.27 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.792 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' CB ' HG21 ' A' ' 28' ' ' THR . 18.8 mtpt -63.49 -48.89 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 28' ' ' THR . 39.4 t -63.39 -42.8 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.3 mtt180 -68.37 -30.5 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -68.73 -41.73 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.732 ' O ' HG23 ' A' ' 66' ' ' VAL . 12.3 mt -65.89 -42.54 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 60' ' ' ARG . 15.0 mt -60.64 -40.17 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.81 -32.03 70.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.407 HD22 ' OD2' ' A' ' 45' ' ' ASP . 78.6 mt -74.23 -45.43 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 62' ' ' ILE . 30.1 t -64.74 -37.27 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.75 -31.46 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -73.39 -33.62 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -66.37 -45.59 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.76 -163.65 24.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -26.47 41.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -31.47 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.598 HG12 HG13 ' A' ' 66' ' ' VAL . 21.4 t -99.92 -30.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -61.22 -33.05 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -75.31 -42.07 55.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.23 -33.9 75.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.66 ' HA ' HD12 ' A' ' 80' ' ' LEU . 33.4 t80 -72.89 -32.55 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 81' ' ' LEU . 20.3 mt -77.86 -31.49 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.97 -34.92 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 77' ' ' PHE . 6.2 mt -62.24 -37.02 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 78' ' ' LEU . 12.1 mt -59.62 -29.92 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -60.74 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.96 -44.54 92.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 80' ' ' LEU . 89.1 mt -67.0 -14.49 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.368 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.54 10.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.441 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -59.16 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.993 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.98 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -72.57 176.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.18 -46.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.47 -32.64 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.54 107.9 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 1.7 ttp180 -179.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 33.1 Cg_endo -64.22 -27.65 64.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.438 2.092 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -67.36 -43.91 80.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.83 -51.01 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.09 -31.27 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 pt -60.66 -28.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.68 87.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.53 ' HE2' HD13 ' A' ' 78' ' ' LEU . 3.3 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.466 ' CG ' HD12 ' A' ' 11' ' ' ILE . 21.0 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.676 0.274 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.87 -18.75 47.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.529 2.153 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -93.74 -38.29 11.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.609 HG23 ' HA ' ' A' ' 67' ' ' GLN . 29.7 mt -76.3 -43.75 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.223 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.96 -30.97 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.79 -31.57 71.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.44 HD23 HD11 ' A' ' 21' ' ' LEU . 57.8 mt -78.94 -41.39 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -70.02 -52.97 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 t -60.08 -44.97 94.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -101.0 34.43 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.2 ttm180 -69.82 -44.54 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 94' ' ' TRP . 2.5 tp -75.58 -43.07 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.625 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 92.2 mt -65.31 -35.6 81.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 18' ' ' ARG . 28.0 t -71.96 -28.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.3 m -86.33 -35.98 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.981 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.411 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -81.71 -54.39 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 124.91 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -111.48 -44.59 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -89.41 127.52 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.705 HG22 HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -106.85 -34.16 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -57.68 -36.61 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.2 m -60.2 -39.97 88.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.11 -34.11 65.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -76.73 -33.39 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -40.73 83.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -70.97 -47.17 60.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 41' ' ' PHE . 21.9 mt -60.32 -35.98 76.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.72 -46.31 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -60.97 -37.47 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -82.78 0.08 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.35 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 65.98 71.14 0.42 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -132.34 -48.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.3 m-85 -93.63 151.85 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m -104.36 168.73 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.94 71.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -76.71 -31.82 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.91 -48.33 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.37 71.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -36.8 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.52 -36.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.27 -61.35 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -60.47 -28.53 68.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.38 37.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.352 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.79 156.38 4.95 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -77.99 -39.21 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.601 2.2 . . . . 0.0 112.4 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.1 p -130.91 -177.34 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.53 -52.45 6.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.4 Cg_exo -50.31 -28.09 19.7 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.594 2.196 . . . . 0.0 112.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.89 -32.84 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -63.94 -42.49 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.476 HG22 HG23 ' A' ' 28' ' ' THR . 25.5 t -62.8 -33.08 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -71.34 -31.94 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -72.65 -42.13 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.749 ' O ' HG23 ' A' ' 66' ' ' VAL . 52.8 mt -65.13 -36.08 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.26 -36.81 80.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.82 -40.25 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.98 -50.79 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.6 t -58.99 -37.11 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.609 ' HA ' HG23 ' A' ' 11' ' ' ILE . 57.0 mt-30 -70.19 -31.01 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.5 m -80.54 -33.57 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.545 ' HD2' HG11 ' A' ' 73' ' ' VAL . 26.4 mttm -59.46 -56.69 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.18 -170.59 24.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.567 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -73.0 -28.43 62.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.309 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -30.51 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.545 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.4 t -105.98 -30.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 t -59.55 -37.24 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.01 -37.9 75.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.31 -46.98 63.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.453 ' HD1' HD11 ' A' ' 35' ' ' LEU . 81.0 t80 -60.13 -38.82 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.19 -31.23 62.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.05 -38.13 85.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.19 -36.37 81.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 33.2 mt -59.47 -30.7 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -52.11 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.45 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.91 -22.9 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.69 -29.63 18.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.349 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.19 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.93 -35.56 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.406 ' CD2' HD12 ' A' ' 91' ' ' LEU . 5.7 m-85 -78.52 162.12 26.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 -39.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.406 HD12 ' CD2' ' A' ' 88' ' ' TYR . 11.5 mt -81.07 113.11 19.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.466 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 48.7 ttm-85 179.22 -58.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 30.9 Cg_endo -63.26 -27.17 72.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.264 1.976 . . . . 0.0 112.361 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.625 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 29.3 t90 -71.71 -49.77 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.44 -44.26 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.51 -30.05 68.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.03 -66.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.57 -34.6 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.01 61.91 1.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.871 ' CG ' HD12 ' A' ' 11' ' ' ILE . 21.6 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.707 0.289 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.13 -23.01 34.12 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.617 2.211 . . . . 0.0 112.443 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.43 ' HD2' HD12 ' A' ' 78' ' ' LEU . 16.7 m80 -93.07 -36.24 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.871 HD12 ' CG ' ' A' ' 8' ' ' HIS . 40.7 mt -73.73 -30.44 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.252 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -70.23 -31.44 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.0 -31.02 69.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.554 HD22 HD23 ' A' ' 63' ' ' LEU . 15.1 mt -78.84 -42.25 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HE2' HG22 ' A' ' 11' ' ' ILE . 23.0 mttm -73.43 -51.63 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.54 74.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -115.03 39.53 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -68.11 -60.59 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -31.03 68.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.8 tp -71.59 -35.88 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 25' ' ' ILE . 34.8 mt -73.7 -31.93 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.3 t -64.57 -29.24 46.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -94.79 -44.15 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.4 m-70 -59.67 -54.49 45.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 21' ' ' LEU . 32.1 mt -70.29 131.73 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.048 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -120.47 -42.53 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.13 87.22 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 32' ' ' VAL . 76.7 p -73.39 -34.75 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -64.51 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.62 -52.08 54.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.15 -41.43 92.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 28' ' ' THR . 30.8 t -70.63 -33.04 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.3 -51.03 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' HD11 ' A' ' 84' ' ' LEU . 6.0 m-20 -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 77' ' ' PHE . 38.4 mt -62.56 -31.32 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.9 mt -77.21 -36.58 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -68.86 -35.77 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.54 0.26 43.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.431 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.69 56.1 0.94 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.985 0.421 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -116.13 -43.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.741 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.41 144.44 29.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -102.81 164.44 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.7 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.97 -28.71 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' HB3' HD13 ' A' ' 65' ' ' LEU . 17.9 m-20 -81.82 -50.89 8.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.96 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.79 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.8 mt -73.17 -41.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.82 -56.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.74 -29.61 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 48' ' ' ILE . . . -57.58 -23.54 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.8 m -54.98 146.41 38.52 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.14 -44.3 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.575 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.5 p -113.03 -176.8 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.3 OUTLIER -78.98 -52.91 1.18 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -50.55 -28.29 21.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.431 2.088 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -34.94 60.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -63.69 -49.18 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.514 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.5 t -56.98 -34.94 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.558 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.12 -31.18 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -70.49 -37.99 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.0 mt -64.57 -41.83 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 60' ' ' ARG . 12.1 mt -61.68 -45.45 93.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 45' ' ' ASP . 34.6 mt -71.51 -53.82 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 62' ' ' ILE . 21.7 t -59.03 -46.55 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -59.9 -30.85 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -80.15 -33.61 38.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.516 ' HD2' HG11 ' A' ' 73' ' ' VAL . 53.6 mttm -60.21 -67.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.81 -178.17 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.81 -36.15 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.516 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.5 t -93.84 -30.97 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -59.56 -30.98 69.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -76.63 -48.84 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 80' ' ' LEU . 69.1 t80 -61.25 -43.3 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.422 ' CD1' HD11 ' A' ' 35' ' ' LEU . 22.4 t80 -59.11 -40.13 84.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.43 HD12 ' HD2' ' A' ' 10' ' ' HIS . 85.6 mt -79.99 -30.47 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.12 -31.39 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 76' ' ' PHE . 5.3 mt -66.88 -34.87 78.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.743 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 43.7 mt -59.47 -31.1 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -39.05 62.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -73.34 -53.05 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.445 HD11 ' ND2' ' A' ' 34' ' ' ASN . 82.0 mt -68.34 -19.46 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.31 -26.71 7.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.541 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -30.48 64.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -111.27 34.31 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.759 ' CD2' HD12 ' A' ' 91' ' ' LEU . 8.8 m-85 -131.11 157.36 43.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.7 t -115.8 -52.39 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.43 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.759 HD12 ' CD2' ' A' ' 88' ' ' TYR . 12.8 mt -84.55 113.7 21.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.431 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.1 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.431 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 19.1 Cg_exo -65.96 -34.37 38.86 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.519 2.146 . . . . 0.0 112.122 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -59.21 -50.42 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.84 -36.69 70.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.97 -30.28 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.43 -52.03 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.3 pt -73.36 -30.08 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.72 49.63 17.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.334 . . . . 0.0 110.894 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.3 m80 . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.584 0.23 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.61 -24.7 9.82 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.597 2.198 . . . . 0.0 112.678 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -86.82 -49.97 7.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 mt -72.25 -45.41 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -30.56 60.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.055 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 13' ' ' LEU . 12.5 mt -63.96 -39.69 94.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 63' ' ' LEU . 19.6 mt -67.93 -44.98 75.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -58.94 -31.05 68.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -87.31 -41.35 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -102.8 36.05 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.13 -56.64 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.94 -31.98 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.07 -44.62 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 25' ' ' ILE . 10.5 mt -60.02 -31.28 69.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 18' ' ' ARG . 26.0 t -68.2 -32.93 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -81.89 -30.05 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -82.52 -52.84 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.897 HD11 HD22 ' A' ' 21' ' ' LEU . 49.9 mt -69.58 136.68 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.16 -37.52 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -105.16 117.16 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.57 ' CG2' HG22 ' A' ' 59' ' ' VAL . 4.3 p -95.16 -32.65 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -29.82 70.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -40.38 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.79 -43.4 54.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.0 t -63.15 -34.65 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.71 -50.29 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.44 -44.61 86.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.78 HD13 ' CE1' ' A' ' 41' ' ' PHE . 18.1 mt -60.25 -43.58 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.86 -45.35 94.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -62.88 -34.74 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.74 0.08 45.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.411 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.41 46.45 3.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.935 0.398 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -106.64 -43.23 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.78 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.0 m-85 -93.86 135.04 35.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -30.66 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.62 -32.32 36.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 48' ' ' ILE . 3.8 m-20 -67.3 -35.49 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.33 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.68 -29.34 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 45' ' ' ASP . 28.5 mt -68.4 -40.02 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.46 -51.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.38 -26.22 68.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.9 49.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.393 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.53 141.37 83.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.37 -36.01 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.487 2.125 . . . . 0.0 112.418 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.7 p -118.52 171.84 7.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -67.54 -52.68 26.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.36 -33.59 37.8 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.64 -31.21 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HB2' HG21 ' A' ' 28' ' ' THR . 4.4 mtpp -71.16 -37.28 72.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 22' ' ' VAL . 39.2 t -66.47 -32.51 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -77.24 -30.56 54.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.01 -43.63 57.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 66' ' ' VAL . 6.5 mt -62.54 -45.54 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 14' ' ' LEU . 19.0 mt -58.53 -39.62 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.54 -33.98 75.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD22 ' OD2' ' A' ' 45' ' ' ASP . 68.9 mt -71.07 -47.65 57.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 62' ' ' ILE . 22.8 t -59.33 -40.71 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.03 -31.36 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -73.68 -33.59 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -65.97 -60.72 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 154.57 -158.57 28.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 -27.63 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.03 -47.39 81.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.73 -30.41 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -61.21 -47.62 85.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.52 -40.0 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -68.03 -45.01 75.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.71 -40.43 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 81' ' ' LEU . 58.8 mt -75.05 -30.54 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.84 -41.45 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.55 -35.17 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 78' ' ' LEU . 8.1 mt -59.58 -30.93 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.655 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -82.66 -39.33 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -31.34 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.33 -10.14 45.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.353 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.7 20.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.686 0.279 . . . . 0.0 111.332 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -30.56 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.76 32.07 5.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -132.79 162.4 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.58 36.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -144.94 -43.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.086 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.79 27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.406 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -74.79 -61.14 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.969 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 58.2 Cg_endo -71.86 -24.96 20.54 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 112.474 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -58.2 -30.44 66.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.655 HD13 ' HG2' ' A' ' 82' ' ' GLN . 9.8 mt -80.36 -34.1 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.78 -31.34 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.52 -67.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.3 pt -59.74 -36.48 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.77 66.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.96 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.411 ' CG ' HD12 ' A' ' 11' ' ' ILE . 72.9 m80 . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.66 0.267 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.72 -13.32 11.91 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.516 2.144 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -110.44 -45.26 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 15' ' ' LYS . 29.8 mt -68.12 -45.92 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.341 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -59.03 -29.9 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.99 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.18 -47.4 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HD2' HG22 ' A' ' 11' ' ' ILE . 6.9 mttp -58.36 -53.51 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -49.34 76.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -97.64 45.05 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -76.5 -59.53 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.59 -30.78 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.98 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 tp -73.13 -30.88 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.557 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 41.8 mt -80.68 -30.8 36.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.9 t -68.73 -30.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -83.66 -33.45 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -76.7 -57.29 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.38 120.52 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.11 -45.78 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.5 123.55 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -101.67 -33.19 9.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -56.54 -28.76 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.74 -43.8 75.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD22 ' CE1' ' A' ' 77' ' ' PHE . 11.1 mt -67.14 -42.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.67 -33.04 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -46.25 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -69.6 -37.74 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' A' ' 41' ' ' PHE . 37.6 mt -67.72 -31.37 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -73.32 -37.46 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -37.63 87.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.63 0.02 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.456 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 61.57 59.1 1.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.88 -44.83 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.3 m-85 -86.89 122.86 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.82 161.28 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.26 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.77 -38.8 37.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.703 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.1 m-20 -63.26 -34.06 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.74 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -35.5 76.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 45' ' ' ASP . 8.4 mt -66.97 -36.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 45' ' ' ASP . 28.4 t -63.27 -57.03 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.84 -29.12 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.33 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.9 m -56.31 141.76 69.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.4 -40.81 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.493 2.129 . . . . 0.0 112.419 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.5 p -110.95 169.36 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.6 tp60 -70.49 -52.54 11.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.51 -30.71 28.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.49 2.126 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.17 -34.78 68.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -65.48 -46.11 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 22' ' ' VAL . 17.4 t -58.35 -49.67 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HA ' HD12 ' A' ' 63' ' ' LEU . 9.2 ttt85 -63.28 -29.18 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -68.96 -46.04 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 66' ' ' VAL . 59.6 mt -63.04 -46.66 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 60' ' ' ARG . 15.7 mt -56.47 -41.49 76.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.0 -30.86 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -73.16 -50.89 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.9 t -57.94 -30.38 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.03 -34.75 78.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.5 t -78.5 -32.96 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HB3' HG21 ' A' ' 73' ' ' VAL . 60.3 mttm -61.92 -36.37 81.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.93 16.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.54 -26.64 63.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.66 -30.53 61.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 69' ' ' LYS . 21.4 t -101.21 -30.92 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.421 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.6 t -61.86 -38.29 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.16 -43.39 95.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -72.4 -41.84 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.506 ' CE1' HD22 ' A' ' 31' ' ' LEU . 53.5 t80 -60.1 -30.59 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 74' ' ' SER . 8.2 mt -82.95 -30.24 28.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.89 -43.22 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.57 -35.03 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.742 HD22 HD22 ' A' ' 91' ' ' LEU . 3.4 mt -61.01 -22.14 64.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' HA ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.21 -50.91 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.108 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -67.29 -48.26 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.9 -28.08 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.77 -28.48 22.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.438 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -60.25 -29.6 68.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.17 -34.57 11.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -71.68 161.41 31.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 89' ' ' VAL . 13.5 t -124.51 30.23 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.74 -45.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.742 HD22 HD22 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -87.05 131.69 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.62 -58.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.11 -26.18 9.45 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 112.44 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.557 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 40.1 t90 -63.9 -44.8 91.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 82' ' ' GLN . 4.9 mt -67.07 -33.37 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.32 -31.72 67.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.19 -35.12 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.9 pt -81.66 -30.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.44 52.55 4.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.739 ' CG ' HD12 ' A' ' 11' ' ' ILE . 35.5 m170 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.17 -32.06 38.64 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.61 2.207 . . . . 0.0 112.455 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -81.14 -47.65 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.981 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.739 HD12 ' CG ' ' A' ' 8' ' ' HIS . 43.2 mt -65.7 -33.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -31.69 72.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.773 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.64 -30.48 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 63' ' ' LEU . 96.2 mt -85.21 -42.29 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -64.07 -49.75 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -35.47 77.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -117.59 57.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 ttm105 -86.53 -43.14 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.31 -31.19 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.506 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 13.2 mt -64.09 -32.95 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ARG . 25.8 t -64.54 -30.91 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -31.4 24.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -76.32 -45.56 31.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.586 HD12 ' CG1' ' A' ' 59' ' ' VAL . 20.7 mt -75.38 136.11 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -39.81 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -111.69 134.27 53.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.3 p -106.84 -28.46 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -57.31 -30.86 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.01 -50.49 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.644 HD22 ' CE1' ' A' ' 77' ' ' PHE . 7.7 mt -61.73 -45.23 94.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 28' ' ' THR . 26.7 t -62.24 -40.87 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -49.35 77.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.9 -40.06 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 41' ' ' PHE . 17.6 mt -65.85 -31.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 41' ' ' PHE . 56.7 mt -76.77 -38.23 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -65.52 -35.75 81.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -82.52 0.08 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t0 63.7 52.81 2.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' A' ' 73' ' ' VAL . 9.3 m-85 -117.15 -41.33 3.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.501 ' O ' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -97.66 130.13 44.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -85.08 166.35 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.59 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.95 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.668 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.4 m-20 -59.5 -51.06 71.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.62 -39.88 84.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 9.6 mt -69.18 -38.15 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.4 t -59.39 -54.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -28.74 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 48' ' ' ILE . . . -56.88 -23.85 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.282 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -55.58 149.96 27.54 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.59 -36.24 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.63 2.22 . . . . 0.0 112.448 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 p -130.55 -177.31 4.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -71.88 -53.24 7.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.6 Cg_exo -48.72 -29.93 15.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.53 2.154 . . . . 0.0 112.442 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.89 -31.74 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.59 -47.4 66.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.586 ' CG1' HD12 ' A' ' 25' ' ' ILE . 29.3 t -58.93 -29.8 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.762 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.62 -30.62 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -71.54 -35.86 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 66' ' ' VAL . 24.3 mt -67.69 -38.49 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.05 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 60' ' ' ARG . 7.0 mt -62.88 -44.52 95.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.33 -34.66 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' A' ' 45' ' ' ASP . 19.2 mt -68.67 -50.61 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 62' ' ' ILE . 30.9 t -61.28 -41.9 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.44 -31.47 71.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -76.79 -31.4 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.602 ' HD3' HG21 ' A' ' 73' ' ' VAL . 66.8 mttm -65.75 -75.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.61 -167.86 37.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.18 -29.34 62.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -30.71 65.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 69' ' ' LYS . 21.2 t -101.93 -30.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 t -61.18 -45.74 93.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -64.97 -42.15 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 80' ' ' LEU . 49.0 t80 -65.53 -43.45 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.644 ' CE1' HD22 ' A' ' 31' ' ' LEU . 59.5 t80 -64.87 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.556 ' HA ' HD12 ' A' ' 81' ' ' LEU . 68.1 mt -83.52 -30.88 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.49 -41.99 88.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 76' ' ' PHE . 9.0 mt -61.43 -30.33 70.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 78' ' ' LEU . 71.9 mt -59.88 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.523 ' HG2' HD13 ' A' ' 95' ' ' LEU . 22.9 mt-30 -80.98 -47.74 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -68.94 -40.32 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.79 -23.81 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.91 -28.13 15.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.377 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.16 31.42 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -127.27 174.95 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.99 32.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.84 -50.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.4 mt -68.12 108.48 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.428 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 32.9 Cg_exo -61.24 -32.2 90.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.491 2.127 . . . . 0.0 112.212 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.506 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 30.0 t90 -72.55 -40.89 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.523 HD13 ' HG2' ' A' ' 82' ' ' GLN . 56.7 mt -58.37 -48.73 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -30.93 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.68 -47.88 57.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.2 pt -76.69 -33.81 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.74 73.38 0.83 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.957 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.768 ' CG ' HD12 ' A' ' 11' ' ' ILE . 39.5 m80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.55 0.214 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 8' ' ' HIS . 41.5 Cg_endo -67.55 -18.44 48.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.397 2.064 . . . . 0.0 112.457 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -98.95 -40.71 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.768 HD12 ' CG ' ' A' ' 8' ' ' HIS . 27.0 mt -73.49 -40.51 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -31.63 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.17 -30.9 69.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 63' ' ' LEU . 25.7 mt -81.26 -47.09 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -64.28 -51.98 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -53.29 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -95.36 43.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.896 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.5 ttm180 -76.7 -60.1 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.62 -31.15 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.11 -45.3 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.635 HD22 HD11 ' A' ' 25' ' ' ILE . 16.0 mt -64.25 -31.51 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 18' ' ' ARG . 22.3 t -64.81 -30.87 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -86.78 -37.33 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -67.99 -58.41 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.635 HD11 HD22 ' A' ' 21' ' ' LEU . 11.4 mt -67.89 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -35.14 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.42 141.67 41.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.8 p -113.4 -34.59 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -30.0 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.6 -41.32 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.2 mt -78.19 -46.66 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 28' ' ' THR . 21.7 t -59.33 -39.62 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.49 -52.12 65.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -64.78 -45.76 84.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 31' ' ' LEU . 6.8 mt -60.16 -31.05 69.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.16 -35.55 55.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -34.08 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 2.5 m-80 -82.62 0.13 44.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.371 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t0 64.33 35.22 9.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 6.9 m-85 -94.15 -50.42 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CE1' HD22 ' A' ' 35' ' ' LEU . 3.3 m-85 -83.91 125.09 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -67.55 166.07 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -31.21 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.51 -37.94 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -69.18 -36.09 76.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.59 -29.31 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' ASP . 19.9 mt -71.24 -30.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -71.14 -52.67 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.52 -25.06 64.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.997 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.24 -28.74 55.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -59.26 138.22 88.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.39 -41.1 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.509 2.139 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.0 p -111.2 175.94 5.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.41 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.3 tp60 -75.03 -52.68 3.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.7 Cg_exo -50.36 -27.48 18.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.535 2.157 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -34.33 54.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -63.54 -34.15 77.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 22' ' ' VAL . 28.9 t -63.24 -45.93 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 63' ' ' LEU . 8.9 ttt180 -66.19 -29.67 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HD2' HG22 ' A' ' 48' ' ' ILE . 14.7 tppt? -73.19 -47.33 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.925 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.858 ' O ' HG23 ' A' ' 66' ' ' VAL . 6.9 mt -60.09 -41.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 60' ' ' ARG . 14.4 mt -62.12 -45.35 93.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.33 -42.3 98.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.34 -43.65 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.6 t -59.69 -30.78 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.78 -32.56 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -33.3 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 54.7 mttm -63.57 -48.3 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.19 176.17 14.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.97 -27.59 69.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -29.9 61.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.14 -30.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.444 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.4 t -60.67 -39.77 89.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.44 -43.47 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.17 -40.62 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.596 ' HA ' HD12 ' A' ' 80' ' ' LEU . 83.0 t80 -62.32 -53.22 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 74' ' ' SER . 0.5 OUTLIER -59.77 -30.94 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.59 -37.18 84.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 77' ' ' PHE . 9.2 mt -59.81 -36.73 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.726 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 86.0 mt -60.26 -31.08 69.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -44.91 50.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -72.11 -20.93 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.189 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.27 -24.99 12.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.348 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.65 -29.73 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.17 -47.63 7.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -60.7 146.83 44.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.4 m -102.22 -37.61 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.24 -33.72 63.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.7 104.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.449 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.5 ttp85 -177.81 -53.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 29.3 Cg_exo -61.7 -37.54 67.54 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.499 2.133 . . . . 0.0 112.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.413 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 29.1 t90 -62.12 -51.23 68.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.42 -52.74 62.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.26 -29.7 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -62.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 pt -58.89 -25.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.66 63.37 4.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.896 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.511 ' CD2' HD12 ' A' ' 11' ' ' ILE . 41.4 m80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.632 0.253 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.66 -19.73 47.5 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.462 2.108 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -97.01 -39.98 9.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.511 HD12 ' CD2' ' A' ' 8' ' ' HIS . 29.1 mt -76.77 -33.83 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.98 -30.11 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.0 mt -58.65 -31.6 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 63' ' ' LEU . 6.6 mt -81.18 -45.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.37 -35.05 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -39.6 38.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.719 ' O ' HD12 ' A' ' 21' ' ' LEU . 38.4 m-80 -107.05 36.77 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.6 ttm105 -61.07 -52.41 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.4 -31.89 65.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.56 -31.11 65.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 17' ' ' ASN . 1.3 mt -72.98 -30.58 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 18' ' ' ARG . 29.9 t -73.59 -38.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -86.09 -58.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.447 HG12 HD11 ' A' ' 91' ' ' LEU . 34.5 mt -66.46 126.66 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.61 -36.81 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 116.2 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.75 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.3 p -102.04 -29.23 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -57.26 -43.59 83.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -42.07 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -37.62 79.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 28' ' ' THR . 30.5 t -74.25 -35.03 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.01 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.45 -40.86 93.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 41' ' ' PHE . 50.3 mt -64.86 -31.62 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.802 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.3 mt -75.34 -41.4 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -33.58 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 2.7 m-80 -78.16 -4.55 48.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.392 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.26 37.17 2.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -100.56 -48.78 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.808 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.2 m-85 -93.37 130.65 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 m -84.92 167.68 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.03 -31.71 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.18 -53.18 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.39 -29.22 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -30.21 70.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.04 -38.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.97 -50.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.81 -27.85 69.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.378 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.0 m -55.25 151.15 19.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.043 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.6 -44.71 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.467 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.6 p -116.78 -177.68 3.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.99 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' CB ' ' HD3' ' A' ' 56' ' ' PRO . 1.1 mp0 -75.35 -53.73 2.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 55' ' ' GLN . 65.0 Cg_exo -51.26 -27.87 24.56 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.493 2.129 . . . . 0.0 112.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -31.79 58.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -67.55 -35.32 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.731 ' HA ' HD12 ' A' ' 62' ' ' ILE . 31.3 t -61.0 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -29.66 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -72.75 -41.32 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 59' ' ' VAL . 7.7 mt -63.84 -41.06 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' HD22 ' A' ' 14' ' ' LEU . 35.7 mt -58.98 -45.46 90.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.36 -39.82 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.98 -56.49 14.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.8 t -59.41 -32.43 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -31.31 40.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.83 ' HD3' HG21 ' A' ' 73' ' ' VAL . 28.2 mttm -64.76 -70.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.18 -170.24 30.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.502 ' N ' HD11 ' A' ' 11' ' ' ILE . 10.7 mt-10 -64.36 -25.42 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -60.6 3.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' HD3' ' A' ' 69' ' ' LYS . 21.9 t -77.18 -33.38 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 78' ' ' LEU . 5.4 t -59.99 -30.78 69.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -73.94 -53.72 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.04 -39.64 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -59.67 -50.8 72.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 81' ' ' LEU . 7.2 mt -69.96 -30.89 68.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -60.3 -42.84 96.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.67 -36.53 76.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.747 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 48.6 mt -59.46 -26.74 65.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -83.08 -45.2 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -39.62 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.01 -21.09 43.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.89 -25.99 9.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.415 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.51 -29.66 62.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -113.99 37.65 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -129.31 152.4 48.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 m -111.06 -30.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.17 -39.18 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 81' ' ' LEU . 20.5 mt -99.93 125.82 45.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.409 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 1.1 mtt180 -179.79 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 68.7 Cg_endo -74.18 -25.03 14.08 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.554 2.169 . . . . 0.0 112.463 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -57.47 -51.74 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.77 -30.59 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.26 -30.19 48.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -40.1 40.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.0 pt -75.34 -37.67 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.11 66.52 1.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.869 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.79 ' CG ' HD12 ' A' ' 11' ' ' ILE . 46.8 m80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.557 0.218 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.63 -16.18 46.23 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.419 2.079 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.412 ' O ' HD11 ' A' ' 78' ' ' LEU . 55.5 m80 -95.23 -42.29 8.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.82 0.343 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.79 HD12 ' CG ' ' A' ' 8' ' ' HIS . 37.8 mt -74.46 -32.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -31.04 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.4 -31.53 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD22 HD23 ' A' ' 63' ' ' LEU . 4.5 mt -80.56 -47.38 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.633 ' HE3' HG22 ' A' ' 11' ' ' ILE . 45.9 mttt -59.41 -44.0 92.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -70.93 -52.97 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -93.18 48.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 ttm105 -79.06 -53.58 6.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.53 -30.92 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.67 -42.95 73.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.698 HD22 HD11 ' A' ' 25' ' ' ILE . 30.4 mt -62.06 -32.46 72.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 18' ' ' ARG . 28.7 t -66.35 -28.85 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -36.27 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -73.59 -52.7 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.698 HD11 HD22 ' A' ' 21' ' ' LEU . 34.0 mt -71.76 136.72 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -115.12 -38.43 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -100.19 135.51 41.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.573 HG22 HG22 ' A' ' 59' ' ' VAL . 44.3 p -114.29 -34.1 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.38 -30.73 65.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.46 -32.65 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -79.73 -31.93 41.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -83.82 -31.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -54.15 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.38 -45.61 92.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.828 HD13 ' CE1' ' A' ' 41' ' ' PHE . 81.4 mt -59.82 -30.89 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.31 -42.15 55.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -29.81 68.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.0 0.1 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.44 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 67.38 32.61 5.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.47 -44.09 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.828 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.7 m-85 -94.92 168.05 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -133.42 170.14 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.18 -33.56 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.6 -46.75 71.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.527 ' CG ' HD22 ' A' ' 65' ' ' LEU . 6.9 m-20 -69.4 -36.32 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.61 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -60.83 -29.96 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 45' ' ' ASP . 21.5 mt -74.94 -43.62 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.39 -57.58 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -59.97 -29.68 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.4 -22.61 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.376 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.1 m -55.31 144.74 50.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.02 -37.53 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.8 p -123.36 -177.01 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 2.3 tp60 -76.6 -52.36 2.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.2 Cg_exo -50.24 -27.95 19.01 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.565 2.177 . . . . 0.0 112.363 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -36.06 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HB2' HG21 ' A' ' 28' ' ' THR . 9.8 mttp -64.27 -44.86 90.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG22 HG22 ' A' ' 28' ' ' THR . 23.9 t -59.47 -31.0 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.58 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.37 -28.75 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -78.3 -42.22 31.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.3 mt -59.16 -29.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 60' ' ' ARG . 8.7 mt -75.23 -40.71 58.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -31.18 71.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 45' ' ' ASP . 34.3 mt -72.94 -52.87 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.748 HG13 HG12 ' A' ' 73' ' ' VAL . 30.8 t -60.48 -30.56 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -72.28 -31.12 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -31.37 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.662 ' CD ' HG21 ' A' ' 73' ' ' VAL . 22.9 mttt -66.42 -70.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.12 -165.77 31.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.561 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG3' ' CD2' ' A' ' 8' ' ' HIS . 0.8 OUTLIER -69.73 -28.0 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.715 0.293 . . . . 0.0 111.029 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.13 -29.96 61.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.748 HG12 HG13 ' A' ' 66' ' ' VAL . 25.7 t -106.06 -30.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 78' ' ' LEU . 23.2 t -57.93 -36.24 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.84 -46.64 43.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 80' ' ' LEU . 51.0 t80 -63.45 -39.74 95.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.525 ' HD1' HD11 ' A' ' 35' ' ' LEU . 56.3 t80 -66.06 -37.47 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.682 ' HA ' HD12 ' A' ' 81' ' ' LEU . 1.4 mt -77.99 -31.21 50.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.46 -35.94 78.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 76' ' ' PHE . 50.5 mt -60.35 -42.27 95.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 78' ' ' LEU . 5.1 mt -59.86 -30.02 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -50.78 29.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -69.07 -48.32 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.93 -13.13 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.345 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.44 -27.79 26.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -30.57 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.27 34.65 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.55 145.41 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.75 -52.33 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.19 -31.29 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.514 HD11 HG12 ' A' ' 25' ' ' ILE . 68.5 mt -95.19 125.16 39.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 6.3 mtt180 -179.77 -60.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.501 ' HA ' HD12 ' A' ' 96' ' ' LEU . 69.7 Cg_endo -74.61 -26.59 11.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.559 2.173 . . . . 0.0 112.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.445 ' CH2' HD21 ' A' ' 21' ' ' LEU . 27.8 t90 -59.24 -36.58 75.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.52 -31.42 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 93' ' ' PRO . 5.7 mt -80.2 -31.08 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -74.05 -41.07 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.2 pt -69.98 -32.55 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.59 54.99 2.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.454 ' CG ' HD12 ' A' ' 11' ' ' ILE . 67.7 m80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.584 0.23 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.93 -22.28 73.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.561 2.174 . . . . 0.0 112.479 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -94.18 -51.53 4.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.454 HD12 ' CG ' ' A' ' 8' ' ' HIS . 33.8 mt -64.36 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -76.48 -33.79 58.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 mt -60.2 -32.33 70.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.62 -49.13 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -59.83 -56.06 26.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.21 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -102.67 51.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.0 ttm180 -81.03 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -59.98 -31.17 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.25 -35.95 80.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.036 HD22 HD11 ' A' ' 25' ' ' ILE . 9.6 mt -71.32 -34.72 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -69.46 -29.19 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 m -81.42 -30.16 33.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -88.2 -56.58 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.036 HD11 HD22 ' A' ' 21' ' ' LEU . 45.6 mt -62.07 153.51 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.044 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' N ' HG22 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -136.6 -47.22 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -89.8 124.73 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.564 ' HB ' HD11 ' A' ' 62' ' ' ILE . 66.0 p -110.8 -29.63 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -30.37 64.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.011 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.28 -36.82 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 35' ' ' LEU . 13.9 mt -67.5 -38.92 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.94 -35.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.77 29.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -64.0 -32.91 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.603 HD11 ' HD1' ' A' ' 77' ' ' PHE . 20.9 mt -72.4 -33.28 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.31 -32.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -75.76 -31.32 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 4.6 m-80 -82.34 0.02 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.367 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t0 66.49 31.81 7.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 18.5 m-85 -98.28 -32.8 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.7 m-85 -113.99 151.92 31.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -118.14 169.03 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.44 69.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.35 -51.49 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.776 ' OD1' HD22 ' A' ' 65' ' ' LEU . 32.8 m-20 -63.95 -46.81 83.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.75 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -72.89 -41.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.5 t -59.44 -55.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.77 -29.22 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.0 49.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.381 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.2 m -55.08 148.03 31.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.87 -36.11 2.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.628 2.219 . . . . 0.0 112.367 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.4 p -124.7 -177.11 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.1 tp60 -75.6 -52.15 2.93 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.2 Cg_exo -49.94 -28.97 19.86 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.6 2.2 . . . . 0.0 112.382 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.31 -30.9 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -70.09 -39.36 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.9 t -61.56 -42.75 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -39.82 89.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -61.0 -43.21 99.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 59' ' ' VAL . 8.3 mt -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.983 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.524 HD21 HD13 ' A' ' 21' ' ' LEU . 66.1 mt -60.18 -45.31 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.3 -36.93 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.776 HD22 ' OD1' ' A' ' 45' ' ' ASP . 90.1 mt -67.25 -51.77 48.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 62' ' ' ILE . 22.0 t -59.4 -41.22 83.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -62.57 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -33.18 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.59 ' CD ' HG21 ' A' ' 73' ' ' VAL . 66.2 mttm -66.35 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.78 -169.3 29.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.549 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.8 -26.69 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -56.13 -33.84 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.59 HG21 ' CD ' ' A' ' 69' ' ' LYS . 21.5 t -102.74 -32.23 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -60.11 -37.62 80.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -63.66 -50.16 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.59 -42.48 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.603 ' HD1' HD11 ' A' ' 35' ' ' LEU . 53.0 t80 -60.84 -42.97 98.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' A' ' 81' ' ' LEU . 1.8 mt -73.49 -30.15 62.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.3 -40.45 97.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 mt -63.93 -32.64 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 78' ' ' LEU . 38.9 mt -60.18 -30.37 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -41.52 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -76.76 -31.0 56.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.9 -18.0 31.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.02 -29.19 28.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.87 -41.44 62.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -30.81 69.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -81.15 153.2 27.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 89' ' ' VAL . 15.6 t -110.13 29.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.6 -48.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.77 HD11 HG12 ' A' ' 25' ' ' ILE . 24.4 mt -70.51 116.38 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.447 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.4 ttt180 -177.56 -53.23 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.5 Cg_exo -62.59 -29.4 78.03 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.443 2.096 . . . . 0.0 112.215 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -73.67 -64.48 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.09 -32.4 61.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.09 -29.88 62.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.31 -53.28 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 pt -59.37 -29.89 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.9 53.18 9.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.2 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.737 ' CG ' HD12 ' A' ' 11' ' ' ILE . 29.4 m170 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.638 0.256 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.41 -22.04 39.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.583 2.189 . . . . 0.0 112.431 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -93.52 -37.76 11.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.004 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.737 HD12 ' CG ' ' A' ' 8' ' ' HIS . 27.9 mt -73.36 -32.38 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -39.19 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.22 -31.5 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 63' ' ' LEU . 61.7 mt -73.98 -45.01 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -70.89 -52.56 19.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -60.35 -36.47 78.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -115.22 40.33 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 21.2 ttm180 -73.87 -53.84 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -33.6 72.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 19.1 tp -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.69 HD22 HD11 ' A' ' 25' ' ' ILE . 13.8 mt -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.4 t -66.81 -31.26 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.2 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 m -88.61 -35.7 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.5 m-70 -74.21 -51.49 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 21' ' ' LEU . 46.5 mt -70.76 133.94 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.078 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.01 -49.76 2.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -95.61 122.05 37.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.85 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.2 p -96.4 -27.66 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -56.16 -36.88 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.71 -52.16 66.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 35' ' ' LEU . 3.3 mt -65.1 -31.5 72.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 28' ' ' THR . 28.0 t -75.95 -39.23 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.22 -48.71 77.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -65.52 -45.16 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.533 HD11 ' CD1' ' A' ' 77' ' ' PHE . 40.6 mt -59.9 -40.14 87.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -68.75 -41.91 78.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -60.47 -34.08 73.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.88 0.23 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.401 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.89 37.89 11.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -96.38 -50.54 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.517 ' CZ ' HG23 ' A' ' 62' ' ' ILE . 2.4 m-85 -87.26 119.91 27.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 m -67.72 178.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -37.1 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -45.26 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.7 m-20 -56.94 -48.34 78.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.49 67.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.261 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -39.86 68.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.87 -41.42 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.6 t -61.12 -59.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.67 -28.17 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.32 -22.47 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.8 m -55.15 156.08 7.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.54 -40.01 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.635 2.223 . . . . 0.0 112.467 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.2 p -128.29 -177.44 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.016 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.55 -53.29 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 76.5 Cg_exo -49.64 -26.83 13.6 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.473 2.115 . . . . 0.0 112.435 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.02 -34.12 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -67.31 -34.78 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.29 -50.35 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.557 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -65.81 -32.18 73.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -65.32 -45.31 84.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.517 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 8.0 mt -63.25 -43.75 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD23 HD22 ' A' ' 14' ' ' LEU . 8.4 mt -60.13 -37.88 81.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.08 -40.28 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.48 -55.2 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.8 t -57.46 -36.18 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.84 -29.66 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 t -85.63 -32.89 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HD2' HG11 ' A' ' 73' ' ' VAL . 31.2 mttm -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.69 -168.13 36.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.576 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -76.26 -28.0 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.438 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.9 t -92.38 -36.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.417 ' O ' HD12 ' A' ' 78' ' ' LEU . 28.9 t -60.16 -39.86 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.2 -44.98 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -66.82 -34.88 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.533 ' CD1' HD11 ' A' ' 35' ' ' LEU . 59.8 t80 -66.33 -49.06 68.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 74' ' ' SER . 0.4 OUTLIER -65.8 -31.03 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.3 -36.38 83.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -58.25 -27.05 63.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.999 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -80.81 -40.36 25.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -44.25 56.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.32 -18.86 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.26 -26.94 8.01 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.79 0.328 . . . . 0.0 111.427 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.37 -30.96 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -46.46 8.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.96 139.1 58.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.32 30.17 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 -57.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.42 114.62 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 3.7 ttt180 -168.28 -56.21 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 24.1 Cg_exo -63.34 -31.41 73.14 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.391 2.06 . . . . 0.0 111.959 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -72.57 -43.85 62.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.4 mt -58.96 -47.28 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.23 -31.43 69.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.44 -54.17 47.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.6 pt -75.89 -33.94 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.36 91.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 2.1 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.6 ' CG ' HD12 ' A' ' 11' ' ' ILE . 26.6 m80 . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.687 0.279 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.46 -22.94 17.61 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.629 2.219 . . . . 0.0 112.713 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -93.7 -42.59 9.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.288 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.6 HD12 ' CG ' ' A' ' 8' ' ' HIS . 33.4 mt -70.87 -41.6 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.31 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -31.56 66.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 98' ' ' ILE . 62.2 mt -64.15 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.2 mt -81.16 -42.72 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -66.23 -53.62 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -44.86 95.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -101.08 36.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.699 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -74.14 -40.62 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -72.81 -32.79 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.48 -31.33 62.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 25' ' ' ILE . 19.0 mt -71.02 -31.26 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.0 t -76.49 -29.6 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -30.38 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -90.16 -58.33 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.779 HD11 HD22 ' A' ' 21' ' ' LEU . 43.5 mt -61.18 115.4 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -40.3 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -96.03 129.68 43.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 32' ' ' VAL . 36.0 p -107.31 -30.11 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.007 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.38 -30.5 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -41.41 93.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.82 -44.65 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 28' ' ' THR . 28.1 t -63.77 -40.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.019 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.46 -55.93 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -59.65 -44.53 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD11 ' HD1' ' A' ' 77' ' ' PHE . 6.2 mt -59.91 -30.73 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.98 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -66.47 -39.85 89.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.48 0.12 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.424 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.37 37.44 6.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -92.27 -34.23 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -108.38 123.52 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 m -77.42 167.13 22.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.52 72.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.44 -34.92 61.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.622 ' HA ' HD12 ' A' ' 48' ' ' ILE . 59.9 m-20 -68.4 -46.95 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -29.54 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.241 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.39 -38.04 86.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.7 mt -66.74 -42.59 89.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG11 ' CG1' ' A' ' 62' ' ' ILE . 22.0 t -65.09 -55.18 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -30.21 68.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.4 -23.31 56.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.5 m -55.2 144.24 51.26 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.77 -43.26 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.532 2.154 . . . . 0.0 112.381 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.1 p -109.28 173.21 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.01 -52.91 5.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 66.4 Cg_exo -50.88 -28.47 23.77 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.157 . . . . 0.0 112.325 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.28 -32.61 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -67.39 -41.0 85.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 62' ' ' ILE . 29.2 t -62.25 -42.43 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -66.31 -30.33 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppm? -73.35 -43.71 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.756 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.6 mt -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.2 -40.16 95.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.44 -46.44 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 62' ' ' ILE . 33.8 t -60.63 -36.14 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.04 -32.96 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 m -78.95 -32.01 45.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.714 ' HD2' HG11 ' A' ' 73' ' ' VAL . 51.5 mttm -60.27 -70.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.47 -177.8 36.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.615 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.15 -28.88 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -47.29 84.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.714 HG11 ' HD2' ' A' ' 69' ' ' LYS . 19.7 t -78.48 -30.29 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.446 ' O ' HD12 ' A' ' 78' ' ' LEU . 8.2 t -61.96 -33.63 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -73.49 -46.94 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.545 ' CE2' HD11 ' A' ' 80' ' ' LEU . 71.4 t80 -61.21 -39.63 90.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.466 ' HD1' HD11 ' A' ' 35' ' ' LEU . 64.3 t80 -63.83 -38.85 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -75.95 -29.95 58.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.52 -44.49 94.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.545 HD11 ' CE2' ' A' ' 76' ' ' PHE . 11.6 mt -60.04 -33.33 71.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.657 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 80.9 mt -58.73 -28.94 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.526 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.91 -56.78 3.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -58.48 -30.67 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.47 -11.99 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -49.87 -27.12 4.73 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.786 0.327 . . . . 0.0 111.527 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -29.01 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.12 54.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -85.89 -51.1 6.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 89' ' ' VAL . 15.9 t 65.62 15.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.273 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.42 -28.9 6.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 111.061 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.485 HD11 HG12 ' A' ' 25' ' ' ILE . 4.3 mt -96.41 26.19 4.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -82.55 -52.54 0.68 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.734 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 92' ' ' ARG . 53.0 Cg_exo -54.58 -29.97 63.09 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.492 2.128 . . . . 0.0 112.062 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.428 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 23.1 t90 -71.32 -36.33 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.818 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.526 HD13 ' HG2' ' A' ' 82' ' ' GLN . 27.6 mt -66.83 -51.48 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.81 -31.37 70.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -66.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.579 HG21 HD22 ' A' ' 13' ' ' LEU . 39.4 pt -65.2 -30.86 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.52 63.74 1.99 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 15.8 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.466 ' CG ' HD12 ' A' ' 11' ' ' ILE . 35.5 m80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.77 -25.76 21.79 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.605 2.203 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -82.72 -45.75 14.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.466 HD12 ' CG ' ' A' ' 8' ' ' HIS . 28.3 mt -73.09 -34.64 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 13' ' ' LEU . 12.4 mt -60.06 -41.13 91.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.69 ' HB3' HD22 ' A' ' 63' ' ' LEU . 46.7 mt -70.71 -47.06 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -63.22 -35.89 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -76.44 -46.99 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -97.54 38.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.812 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.7 ttm180 -74.16 -48.2 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -64.24 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 tp -80.24 -33.28 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.954 HD22 HD11 ' A' ' 25' ' ' ILE . 13.5 mt -68.16 -32.31 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.3 t -67.35 -29.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -84.43 -50.65 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.048 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -62.3 -57.18 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.954 HD11 HD22 ' A' ' 21' ' ' LEU . 37.8 mt -62.33 133.31 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -121.31 -54.65 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -93.01 125.15 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' VAL . 81.6 p -102.03 -25.65 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -55.74 -35.67 66.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -50.01 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.78 -31.5 72.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' THR . 25.0 t -76.58 -39.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.712 HD13 ' CE1' ' A' ' 41' ' ' PHE . 19.9 mt -59.96 -31.45 69.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.4 -42.49 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -32.85 73.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.442 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.1 m-80 -83.3 0.06 47.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.392 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.95 38.36 6.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 11.1 m-85 -99.17 -60.2 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.712 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.8 m-85 -75.96 126.05 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -70.84 168.2 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.47 80.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -71.14 -38.01 72.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.607 ' OD1' HD22 ' A' ' 65' ' ' LEU . 59.4 m-20 -59.06 -45.18 91.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.56 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.41 -31.48 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.423 HG22 ' CG ' ' A' ' 61' ' ' LYS . 44.6 mt -72.21 -36.09 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.4 t -71.13 -40.62 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.7 m -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.02 -24.72 40.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.393 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.57 146.98 52.75 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.94 -41.8 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.592 2.195 . . . . 0.0 112.381 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.1 p -118.39 -177.41 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -74.68 -53.13 3.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 75.3 Cg_exo -49.53 -35.89 38.32 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.59 2.194 . . . . 0.0 112.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -34.19 77.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -61.34 -50.34 73.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 t -54.05 -30.63 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -31.27 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CG ' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -78.1 -45.45 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 67.5 mt -55.16 -39.55 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.69 HD22 ' HB3' ' A' ' 14' ' ' LEU . 92.1 mt -65.52 -41.0 93.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.607 HD22 ' OD1' ' A' ' 45' ' ' ASP . 72.5 mt -62.25 -59.05 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.756 HG13 HG12 ' A' ' 73' ' ' VAL . 26.0 t -59.94 -40.08 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.06 -34.28 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -32.95 56.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.498 ' HD2' HG11 ' A' ' 73' ' ' VAL . 38.0 mttm -60.49 -75.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.49 -162.93 34.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.29 -28.71 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.74 -30.47 65.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.756 HG12 HG13 ' A' ' 66' ' ' VAL . 21.5 t -104.67 -32.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -63.54 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -77.25 -49.43 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.6 -43.22 93.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 35' ' ' LEU . 45.3 t80 -59.67 -52.21 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.815 ' HA ' HD12 ' A' ' 81' ' ' LEU . 6.6 mt -63.86 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.53 -38.13 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 77' ' ' PHE . 6.8 mt -60.15 -35.13 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 78' ' ' LEU . 6.0 mt -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -50.19 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.64 -12.42 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.415 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -52.68 -29.62 27.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 111.326 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.84 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -78.68 155.82 29.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.02 -37.4 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.48 -58.74 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.83 115.35 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.443 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.7 mmm-85 -177.28 -53.06 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.443 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 17.8 Cg_exo -66.29 -32.0 42.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 0.0 112.083 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.478 ' HZ3' HD13 ' A' ' 81' ' ' LEU . 25.8 t90 -59.27 -45.78 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.08 -49.5 71.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.5 -29.62 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.25 -52.25 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -73.37 -37.68 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.46 77.17 1.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.981 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -130.52 165.38 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.48 154.73 27.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.34 -166.62 21.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -107.88 -177.28 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.96 170.09 8.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.21 -101.96 0.64 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.517 ' CG ' HD12 ' A' ' 11' ' ' ILE . 14.4 m80 60.57 77.72 0.36 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.26 -24.01 39.98 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.59 2.193 . . . . 0.0 112.477 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -91.3 -42.6 10.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.209 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.622 HG22 ' CE ' ' A' ' 15' ' ' LYS . 28.8 mt -70.58 -37.98 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.36 -34.99 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.37 -31.51 72.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.58 -41.05 47.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' CE ' HG22 ' A' ' 11' ' ' ILE . 8.6 mttm -71.42 -45.59 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -100.83 31.41 3.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.803 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.5 ttm180 -67.06 -30.79 70.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.54 -30.19 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD11 ' NE2' ' A' ' 24' ' ' HIS . 6.2 tp -79.5 -37.02 37.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.055 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.468 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 25.5 mt -64.29 -32.07 73.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 18' ' ' ARG . 29.7 t -73.65 -24.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -92.32 -29.25 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.411 ' NE2' HD11 ' A' ' 20' ' ' LEU . 1.7 m-70 -86.93 -52.47 5.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.031 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.458 HD11 HD22 ' A' ' 21' ' ' LEU . 41.5 mt -66.78 142.4 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -130.93 -46.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.05 114.56 20.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 32' ' ' VAL . 12.9 p -105.82 -33.83 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -38.37 81.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.6 -41.13 98.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.651 HD22 ' CE1' ' A' ' 77' ' ' PHE . 10.2 mt -63.18 -31.79 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.609 HG12 ' CD1' ' A' ' 36' ' ' LEU . 21.6 t -81.44 -40.24 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -60.32 -37.32 80.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -77.43 -35.29 54.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.618 HD13 ' CE1' ' A' ' 41' ' ' PHE . 26.7 mt -74.88 -31.66 61.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.609 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.1 mt -67.23 -41.88 84.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -71.77 -30.99 66.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -82.57 0.07 44.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.329 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 65.02 52.99 1.44 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.966 0.412 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -119.5 -42.03 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 35' ' ' LEU . 5.0 m-85 -107.6 123.13 48.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -82.44 172.47 13.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.27 -32.96 73.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -73.14 -52.43 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.49 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.197 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.94 -31.11 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mt -75.15 -41.47 44.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.2 t -61.06 -57.25 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.02 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 67.9 m -59.99 -30.7 69.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.29 61.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 m -54.7 150.54 17.79 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.81 0.338 . . . . 0.0 111.013 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.32 -36.17 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.624 2.216 . . . . 0.0 112.423 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.5 p -135.21 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -70.25 -52.34 12.24 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -48.93 -27.02 10.89 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.458 2.105 . . . . 0.0 112.301 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.42 -35.08 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -65.68 -45.97 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.09 -47.01 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -65.53 -33.63 76.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -67.92 -45.87 73.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.7 mt -62.96 -43.05 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 60' ' ' ARG . 25.6 mt -58.86 -42.94 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.1 -34.48 78.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.8 mt -68.07 -52.46 34.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.7 t -56.67 -39.6 64.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.76 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -34.67 64.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.609 ' HD2' HG11 ' A' ' 73' ' ' VAL . 19.2 mttm -65.84 -65.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.23 -169.94 30.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.61 -26.42 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.324 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.45 -47.41 79.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.609 HG11 ' HD2' ' A' ' 69' ' ' LYS . 29.4 t -85.62 -33.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.433 ' O ' HD12 ' A' ' 78' ' ' LEU . 2.8 t -60.64 -34.2 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.35 -38.01 74.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CE2' HD11 ' A' ' 80' ' ' LEU . 67.8 t80 -75.94 -42.84 47.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.651 ' CE1' HD22 ' A' ' 31' ' ' LEU . 61.0 t80 -60.84 -42.46 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 74' ' ' SER . 1.0 OUTLIER -71.09 -30.46 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.54 -41.22 93.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 76' ' ' PHE . 10.3 mt -59.38 -30.21 68.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 26.0 mt -65.45 -28.69 69.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.059 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -82.87 -59.09 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.054 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -29.23 57.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.9 mt -91.32 -22.27 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -49.1 -28.31 4.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -29.49 67.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -109.69 39.19 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.43 ' CD2' HD12 ' A' ' 91' ' ' LEU . 3.7 m-85 -130.0 172.06 12.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 90' ' ' ASP . 25.4 m -124.7 -44.81 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 89' ' ' VAL . 3.6 t0 -76.8 -31.38 56.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 88' ' ' TYR . 32.3 mt -96.2 117.57 31.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.417 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.36 -61.42 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HA ' HD12 ' A' ' 96' ' ' LEU . 40.8 Cg_endo -67.11 -26.37 42.86 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.401 2.067 . . . . 0.0 112.398 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.468 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 26.2 t90 -65.82 -52.79 47.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.19 -33.83 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 93' ' ' PRO . 10.6 mt -69.26 -29.37 67.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.35 -48.56 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 41.6 pt -74.39 -34.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.68 89.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 10.3 t80 -85.76 -53.29 5.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.7 0.286 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 t -86.2 163.42 17.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.8 m -157.55 158.92 36.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.35 147.16 5.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.48 -174.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.566 2.177 . . . . 0.0 112.249 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 m -134.59 31.3 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 63.9 m -94.16 -179.87 5.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.513 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -114.73 -41.06 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -110.33 -63.37 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.54 105.34 1.13 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p 58.77 174.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.9 155.47 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.47 122.87 5.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.663 ' ND1' HD12 ' A' ' 11' ' ' ILE . 26.3 m80 -97.21 109.15 48.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.488 0.185 . . . . 0.0 110.792 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.21 -23.18 22.11 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.483 2.122 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -89.18 -42.12 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.663 HD12 ' ND1' ' A' ' 8' ' ' HIS . 25.0 mt -75.59 -41.29 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.17 -37.86 75.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.4 -31.13 71.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD22 ' CD2' ' A' ' 63' ' ' LEU . 72.4 mt -80.4 -39.94 27.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -68.76 -33.35 73.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -81.67 -45.37 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.53 45.31 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -79.2 -50.95 10.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.49 -30.23 61.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.38 -34.29 67.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 25' ' ' ILE . 18.2 mt -72.82 -30.64 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.041 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.0 t -68.23 -30.0 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.244 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -86.23 -27.11 24.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.088 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -85.02 -48.98 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 21' ' ' LEU . 41.1 mt -70.1 131.34 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.18 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -105.8 -54.24 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.48 129.24 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 59' ' ' VAL . 40.5 p -112.26 -34.41 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -34.66 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.93 -44.78 96.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 77' ' ' PHE . 17.5 mt -64.0 -43.42 95.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -66.64 -33.47 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.58 -52.06 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -64.18 -37.09 86.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 41' ' ' PHE . 42.4 mt -67.53 -31.45 71.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.63 -39.57 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -34.33 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.415 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 8.1 m-80 -82.58 0.08 44.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.55 38.16 4.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 8.5 m-85 -98.85 -43.56 6.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.7 m-85 -93.26 168.06 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.34 170.62 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.04 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.32 -44.68 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.781 ' OD1' HD22 ' A' ' 65' ' ' LEU . 33.5 m-20 -62.15 -49.44 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.02 -30.07 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 2.3 tt0 -66.85 -33.68 76.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.403 HG21 ' HD2' ' A' ' 61' ' ' LYS . 21.6 mt -74.09 -39.12 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.9 -63.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -58.36 -28.61 65.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.19 -23.7 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.354 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.2 m -55.41 148.74 31.47 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.979 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.03 -36.67 2.4 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.575 2.183 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.8 p -122.07 178.17 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -76.35 -53.64 2.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.48 -27.85 19.93 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.538 2.159 . . . . 0.0 112.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -33.34 64.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -65.36 -34.22 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.673 HG11 ' HA ' ' A' ' 22' ' ' VAL . 27.8 t -63.01 -36.58 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HA ' HD12 ' A' ' 63' ' ' LEU . 3.4 ttt180 -72.7 -30.99 64.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HD2' HG21 ' A' ' 48' ' ' ILE . 2.4 tppm? -73.31 -42.1 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.977 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.768 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.4 mt -66.52 -30.34 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.55 ' CD2' HD22 ' A' ' 14' ' ' LEU . 17.2 mt -73.45 -43.77 59.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.98 -37.23 86.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD22 ' OD1' ' A' ' 45' ' ' ASP . 85.2 mt -70.13 -55.62 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.887 HG13 HG12 ' A' ' 73' ' ' VAL . 27.0 t -59.51 -31.59 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -74.96 -39.61 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -66.31 -34.04 77.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.646 ' HD3' HG21 ' A' ' 73' ' ' VAL . 31.8 mttm -60.75 -75.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.07 -163.4 36.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' CD2' ' A' ' 8' ' ' HIS . 6.0 mt-10 -74.42 -27.77 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -40.74 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.978 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.887 HG12 HG13 ' A' ' 66' ' ' VAL . 21.6 t -94.84 -30.82 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 78' ' ' LEU . 12.7 t -60.71 -38.8 86.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -68.54 -46.28 69.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -60.56 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.444 ' CE1' HD22 ' A' ' 31' ' ' LEU . 44.3 t80 -60.22 -36.76 78.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 74' ' ' SER . 1.1 mt -76.33 -31.3 58.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.3 -38.63 90.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.72 -33.45 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -59.94 -31.02 69.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.628 ' HG3' HD22 ' A' ' 95' ' ' LEU . 7.2 mt-30 -80.12 -40.75 26.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -45.98 69.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mt -71.72 -19.75 62.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.13 -25.98 10.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.4 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.99 -50.48 73.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.18 -36.01 27.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -62.54 -177.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 90' ' ' ASP . 15.2 m -145.15 -46.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 89' ' ' VAL . 62.6 m-20 -58.62 -29.9 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 HG12 ' A' ' 25' ' ' ILE . 17.9 mt -103.82 125.34 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 3.6 mtp180 179.9 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 48.6 Cg_endo -69.09 -26.69 30.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.403 2.069 . . . . 0.0 112.378 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.628 HD22 ' HG3' ' A' ' 82' ' ' GLN . 15.9 mt -69.36 -46.07 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.75 -30.83 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.37 -56.78 4.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -61.58 -33.07 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.63 73.53 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.425 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -102.61 122.08 43.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.1 m 59.98 40.28 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.7 t -107.34 110.2 22.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 160.59 -99.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.63 -25.27 15.05 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.545 2.164 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -57.41 130.59 46.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.7 t -94.64 152.57 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.486 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -147.8 78.37 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.19 113.05 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.73 168.99 25.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.529 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.44 125.07 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.25 103.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.34 -65.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.578 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.468 ' CG ' HD12 ' A' ' 11' ' ' ILE . 22.6 m80 60.13 77.47 0.38 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.694 0.283 . . . . 0.0 110.815 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 -23.84 19.61 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.513 2.142 . . . . 0.0 112.484 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -90.2 -43.92 10.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.785 HG22 ' HE3' ' A' ' 15' ' ' LYS . 27.6 mt -72.67 -36.23 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -37.77 88.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.07 -31.16 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.5 mt -80.36 -45.17 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.785 ' HE3' HG22 ' A' ' 11' ' ' ILE . 21.0 mttt -60.11 -48.33 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -41.22 76.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -105.4 40.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 ttm180 -72.48 -59.42 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.49 -31.4 70.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.9 tp -66.87 -32.71 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.636 HD22 HD11 ' A' ' 25' ' ' ILE . 44.0 mt -78.46 -31.29 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 18' ' ' ARG . 26.7 t -63.19 -30.16 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -93.4 -35.34 13.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.416 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.9 m-70 -69.67 -57.92 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.636 HD11 HD22 ' A' ' 21' ' ' LEU . 38.9 mt -73.84 123.22 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -33.49 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -98.87 110.8 23.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -98.54 -30.73 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -57.75 -38.86 76.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -38.64 82.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.58 -50.24 53.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.23 -38.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -48.57 81.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -67.71 -42.46 81.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.13 -37.0 83.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.3 mt -71.6 -45.56 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -61.41 -37.75 84.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -82.46 0.15 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.406 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.19 61.01 0.93 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.001 0.429 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -119.35 -48.2 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -93.31 -177.92 4.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -134.08 167.18 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.59 -36.13 75.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.172 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -67.89 -41.56 82.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.586 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.2 m-20 -63.51 -51.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -30.76 71.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -41.19 92.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.1 mt -66.88 -37.46 79.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.5 t -59.54 -55.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.35 -23.13 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.5 m -54.76 147.81 29.72 Favored Pre-proline 0 C--N 1.332 -0.169 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.85 -43.88 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.565 2.177 . . . . 0.0 112.406 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 55.6 p -115.69 -176.75 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -77.36 -53.32 1.64 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 74.7 Cg_exo -50.44 -30.13 26.38 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.566 2.177 . . . . 0.0 112.362 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -35.32 72.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -64.3 -44.45 91.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.535 HG11 ' HA ' ' A' ' 22' ' ' VAL . 14.4 t -61.26 -30.84 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.31 -34.04 55.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -68.04 -39.26 83.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.05 -47.09 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.31 -37.19 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -35.74 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.52 HD22 ' OD2' ' A' ' 45' ' ' ASP . 52.1 mt -68.61 -55.03 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 73' ' ' VAL . 38.2 t -58.49 -38.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.63 ' HG2' HG23 ' A' ' 11' ' ' ILE . 58.7 mt-30 -63.21 -30.15 71.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 m -87.25 -30.88 20.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.71 ' HD2' HG11 ' A' ' 73' ' ' VAL . 58.4 mttm -59.7 -49.5 77.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 144.73 176.44 18.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.517 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.36 -29.17 69.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.706 0.289 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.82 -56.97 15.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.71 HG11 ' HD2' ' A' ' 69' ' ' LYS . 16.8 t -66.4 -30.82 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.3 t -60.94 -47.88 84.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.99 -43.05 99.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 80' ' ' LEU . 58.9 t80 -65.08 -37.02 86.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -69.18 -31.65 70.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 81' ' ' LEU . 16.3 mt -85.91 -30.4 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -39.45 94.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 76' ' ' PHE . 6.7 mt -68.09 -30.88 70.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.765 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 36.0 mt -59.27 -29.4 67.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.561 ' HA ' HD13 ' A' ' 95' ' ' LEU . 10.8 tt0 -78.44 -45.93 21.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.067 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -49.32 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.8 mt -74.58 -15.49 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -50.58 -27.65 7.17 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.78 0.324 . . . . 0.0 111.406 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -31.95 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.91 -35.43 24.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -79.08 161.05 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.86 27.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.235 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -122.44 -38.7 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.033 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 25' ' ' ILE . 1.4 mt -96.37 31.31 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.442 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.34 -52.13 5.38 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 94.7 Cg_endo -80.35 -25.29 4.83 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.604 2.203 . . . . 0.0 112.384 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -57.36 -61.57 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.561 HD13 ' HA ' ' A' ' 82' ' ' GLN . 6.3 mt -56.91 -34.42 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mt -70.38 -30.62 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.58 -68.73 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 99' ' ' GLY . 18.3 pt -59.26 -29.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 98' ' ' ILE . . . 59.45 91.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.566 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -83.66 -38.13 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.31 -174.61 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.12 121.14 27.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.78 94.88 0.56 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.508 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.27 -46.11 2.34 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.419 2.079 . . . . 0.0 112.361 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.1 31.19 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.2 t -134.0 87.3 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.512 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -72.12 137.79 47.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -99.48 -59.51 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.78 -173.99 47.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 p -152.95 152.4 31.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -132.97 144.52 50.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.12 101.61 2.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.564 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.5 ' CG ' HD12 ' A' ' 11' ' ' ILE . 75.2 m80 -67.99 114.2 19.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.453 0.168 . . . . 0.0 110.788 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -68.59 -27.14 32.99 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.404 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -83.31 -43.69 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.5 HD12 ' CG ' ' A' ' 8' ' ' HIS . 28.0 mt -73.36 -39.0 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.84 -30.59 69.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt -59.96 -31.46 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 63' ' ' LEU . 37.3 mt -81.16 -42.7 20.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' HE3' HG22 ' A' ' 11' ' ' ILE . 57.9 mttt -61.53 -47.08 87.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -69.57 -38.19 77.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -107.99 38.41 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.0 ttm-85 -71.02 -56.01 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.51 -30.7 67.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -70.05 -43.67 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.471 HD22 HD11 ' A' ' 25' ' ' ILE . 13.0 mt -59.35 -31.86 69.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -60.86 -30.4 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 m -85.72 -37.38 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -71.79 -47.82 50.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 21' ' ' LEU . 33.4 mt -75.57 120.79 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -104.81 -39.57 6.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -98.01 130.74 44.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 21.4 p -110.21 -31.81 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -31.67 70.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.2 m -65.49 -39.01 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.32 -43.99 65.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 28' ' ' THR . 31.0 t -68.03 -32.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.44 -51.53 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -67.45 -44.22 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.666 HD13 ' CE1' ' A' ' 41' ' ' PHE . 35.9 mt -59.39 -31.99 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.25 -45.78 53.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -66.03 -33.65 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -82.01 0.13 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.42 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 62.96 44.67 5.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.93 0.395 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -107.69 -37.02 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.666 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.6 m-85 -105.36 133.95 49.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -77.28 163.82 26.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.33 86.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -37.98 81.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.628 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.6 m-20 -59.33 -49.18 78.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.04 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.73 -30.44 64.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 45' ' ' ASP . 17.5 mt -74.86 -32.14 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.95 -47.9 66.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -26.79 68.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.99 -26.47 48.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.353 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.0 147.15 65.78 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.35 -37.36 1.42 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.593 2.195 . . . . 0.0 112.537 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.3 p -127.43 -177.77 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.52 -53.65 5.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 79.9 Cg_exo -47.81 -27.46 8.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.594 2.196 . . . . 0.0 112.347 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.52 -31.73 29.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -67.09 -44.55 79.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.652 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.5 t -58.36 -33.9 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.25 -37.64 71.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -66.54 -35.74 80.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 59' ' ' VAL . 14.0 mt -69.24 -46.51 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 14' ' ' LEU . 9.2 mt -58.62 -40.54 83.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.43 -36.7 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt -68.6 -56.87 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.508 HG13 HG12 ' A' ' 73' ' ' VAL . 34.7 t -58.37 -31.93 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -68.15 -30.62 69.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -88.17 -29.85 20.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HD2' HG11 ' A' ' 73' ' ' VAL . 18.2 mttm -57.89 -53.6 56.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.21 -160.89 27.63 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.565 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.7 -29.76 25.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -58.32 -31.35 67.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.739 HG11 ' HD2' ' A' ' 69' ' ' LYS . 19.9 t -99.33 -30.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 t -67.02 -36.8 82.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -73.42 -36.2 65.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.837 ' CE2' HD11 ' A' ' 80' ' ' LEU . 46.5 t80 -73.64 -40.97 63.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -61.27 -35.43 77.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 81' ' ' LEU . 87.2 mt -80.7 -30.85 36.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.81 -40.14 79.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.837 HD11 ' CE2' ' A' ' 76' ' ' PHE . 5.9 mt -59.94 -39.22 84.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.786 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 24.9 mt -59.24 -29.63 67.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -44.43 62.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -74.69 -56.63 4.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.12 -19.32 61.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -50.2 -26.77 4.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.483 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.31 -28.96 57.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.0 -31.89 13.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.441 ' CD2' HD12 ' A' ' 91' ' ' LEU . 51.7 m-85 -72.8 154.76 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.5 m -111.53 -30.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -76.91 -44.44 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 88' ' ' TYR . 4.2 mt -81.42 121.39 26.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.26 -60.19 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -74.16 -27.39 11.78 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.576 2.184 . . . . 0.0 112.383 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -62.92 -59.0 5.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.52 -47.29 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -29.35 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -77.33 -49.08 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 pt -70.43 -25.99 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.46 77.11 0.3 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -64.87 99.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 68.59 -67.84 0.19 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.0 t -89.08 155.59 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.72 -64.39 0.61 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.526 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.06 -179.96 3.42 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.313 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 99.3 p -71.27 178.77 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.796 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -166.36 116.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.52 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -172.11 -55.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.811 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -145.63 -47.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.59 73.1 1.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.54 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 p -141.76 -47.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.46 145.71 24.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.75 67.33 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.426 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -118.03 101.43 51.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.551 0.215 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.58 -25.39 14.52 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.551 2.167 . . . . 0.0 112.466 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -82.77 -54.71 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.63 -32.37 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -31.58 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -62.7 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 63' ' ' LEU . 10.3 mt -81.51 -44.5 17.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -63.14 -42.24 99.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.56 -41.06 63.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.15 37.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.713 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.9 ttm105 -72.54 -39.22 67.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.73 -31.26 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.24 -41.71 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 63' ' ' LEU . 39.4 mt -60.19 -36.38 77.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.1 t -63.33 -30.62 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.035 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 m -88.14 -30.92 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -77.2 -60.61 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.02 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 26' ' ' ARG . 20.7 mt -71.6 155.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' N ' HG22 ' A' ' 25' ' ' ILE . 36.3 ttt-85 -143.17 -47.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.79 81.42 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' VAL . 44.9 p -71.95 -28.27 63.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -56.56 -30.46 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.8 m -71.63 -45.7 61.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 HD11 HG21 ' A' ' 25' ' ' ILE . 27.3 mt -60.89 -43.76 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -68.77 -33.97 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -52.64 64.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' A' ' 41' ' ' PHE . 24.4 mt -66.1 -36.97 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.2 mt -67.74 -45.0 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -61.91 -31.79 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 2.4 m-80 -82.25 -0.06 43.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.436 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 62.6 39.02 11.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.872 0.367 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 14.5 m-85 -98.84 -49.84 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.8 m-85 -83.44 129.03 34.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -71.28 159.28 34.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.72 77.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -75.23 -31.78 60.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 48' ' ' ILE . 37.6 m-20 -66.65 -44.82 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.85 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -69.23 -30.64 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 45' ' ' ASP . 22.2 mt -74.19 -40.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -59.77 -63.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -29.54 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.59 -22.3 44.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.5 m -54.5 146.44 33.78 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.46 -34.95 2.38 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.604 2.203 . . . . 0.0 112.395 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.0 p -124.87 173.63 8.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.07 -52.21 7.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.5 Cg_exo -50.08 -27.4 16.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.191 . . . . 0.0 112.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -36.29 60.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -63.85 -42.44 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.5 t -59.07 -37.55 68.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -73.99 -30.5 62.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tppm? -72.18 -40.81 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.868 ' O ' HG23 ' A' ' 66' ' ' VAL . 14.4 mt -69.59 -39.86 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.522 ' CD2' HD22 ' A' ' 14' ' ' LEU . 39.4 mt -68.1 -41.03 82.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.56 -34.16 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.68 -46.77 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 62' ' ' ILE . 34.2 t -60.21 -31.93 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -70.25 -31.4 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.9 t -76.83 -32.9 57.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.543 ' HD3' HG21 ' A' ' 73' ' ' VAL . 56.5 mttm -61.85 -64.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.94 -158.17 27.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.62 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.07 -39.19 74.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.543 HG21 ' HD3' ' A' ' 69' ' ' LYS . 20.2 t -94.41 -31.02 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 t -60.98 -38.53 86.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.56 -48.1 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 80' ' ' LEU . 50.9 t80 -59.64 -43.44 93.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -63.46 -41.52 98.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' A' ' 81' ' ' LEU . 17.2 mt -73.82 -35.52 64.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.2 -41.56 98.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 76' ' ' PHE . 9.1 mt -61.72 -46.91 87.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.676 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 11.8 mt -59.06 -29.5 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.022 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.517 ' HA ' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -73.7 -53.21 10.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.005 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -30.05 68.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.3 mt -92.21 -9.1 43.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.429 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -55.61 -30.11 60.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -31.31 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.23 -47.11 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -66.38 156.08 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -109.8 28.76 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.85 -44.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.5 mt -84.74 132.5 34.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 176.79 -57.99 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.749 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.08 -13.37 15.65 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.599 2.2 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -79.66 -53.91 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 82' ' ' GLN . 5.8 mt -61.71 -47.45 85.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.86 -31.75 70.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -63.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 pt -62.77 -28.89 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.05 80.84 0.18 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.535 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -73.31 78.15 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.791 0.329 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -126.06 31.57 5.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.65 162.0 13.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.87 61.46 0.95 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.8 -28.35 25.18 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 0.0 112.273 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.5 m -116.16 108.94 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.94 111.61 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.505 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.36 156.25 22.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 60.55 167.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.03 -76.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -85.71 124.92 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -73.18 152.8 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.85 117.8 1.46 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.5 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -114.15 88.21 14.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.649 0.261 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.77 -26.04 22.61 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.613 2.209 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.594 ' O ' HD11 ' A' ' 78' ' ' LEU . 17.1 m80 -77.81 -59.53 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.987 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.472 HG23 ' HG2' ' A' ' 67' ' ' GLN . 35.3 mt -67.05 -40.54 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.33 89.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.12 -30.44 69.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.536 ' HA ' HD11 ' A' ' 21' ' ' LEU . 15.8 mt -82.06 -44.35 16.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -65.43 -54.25 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -46.69 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -97.84 37.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 36.6 ttm180 -64.3 -52.76 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -63.76 -32.86 74.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.01 -33.9 74.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.681 HD13 ' CD2' ' A' ' 63' ' ' LEU . 10.1 mt -69.7 -31.46 69.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -72.55 -30.93 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -83.46 -42.9 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.16 -56.62 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' CD1' HD21 ' A' ' 81' ' ' LEU . 30.7 mt -76.43 124.82 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -118.04 -40.83 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -83.93 102.76 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 p -92.55 -31.44 15.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -59.53 -35.19 73.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.98 -43.87 70.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.26 -45.74 86.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -67.46 -35.98 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.09 -45.89 91.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -68.46 -44.78 74.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 41' ' ' PHE . 61.8 mt -58.47 -31.39 67.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.4 -43.99 68.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -71.5 -30.19 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -81.46 0.21 38.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.24 48.79 3.52 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' HD2' HG13 ' A' ' 73' ' ' VAL . 22.1 m-85 -115.19 -41.86 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.775 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.683 ' CE1' HD13 ' A' ' 35' ' ' LEU . 4.7 m-85 -107.36 152.31 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.789 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -105.67 172.07 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.76 74.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.83 -42.44 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.692 ' HA ' HD12 ' A' ' 48' ' ' ILE . 52.5 m-20 -59.93 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.24 -30.52 66.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.9 mt-10 -70.33 -32.69 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 45' ' ' ASP . 11.0 mt -74.01 -46.94 44.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.3 -57.11 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.7 m -59.5 -30.44 68.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -59.6 -20.53 56.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.333 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.3 m -52.05 157.78 2.04 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.29 -38.24 0.82 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.8 p -132.71 -177.49 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.8 tp60 -71.24 -53.07 8.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.6 Cg_exo -50.23 -27.74 18.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.543 2.162 . . . . 0.0 112.391 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.88 -31.17 40.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -64.97 -47.67 76.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 28' ' ' THR . 32.4 t -59.65 -35.07 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 ttp85 -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 tppm? -74.71 -39.59 61.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 33.2 mt -65.07 -43.77 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.681 ' CD2' HD13 ' A' ' 21' ' ' LEU . 16.2 mt -61.77 -41.12 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -35.54 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -68.28 -58.32 4.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.749 HG13 HG12 ' A' ' 73' ' ' VAL . 24.3 t -54.38 -34.32 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 11' ' ' ILE . 68.2 mt-30 -67.25 -26.05 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.38 -31.65 20.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.679 ' HD2' HG11 ' A' ' 73' ' ' VAL . 26.7 mttt -59.92 -67.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 156.12 -177.3 33.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.546 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.31 -30.06 70.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.32 -30.72 66.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.749 HG12 HG13 ' A' ' 66' ' ' VAL . 18.6 t -97.95 -32.67 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.566 ' O ' HD12 ' A' ' 78' ' ' LEU . 28.8 t -66.15 -30.57 71.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -79.04 -29.07 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.01 -45.92 17.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 35' ' ' LEU . 14.7 t80 -58.95 -51.7 68.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.005 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 10' ' ' HIS . 13.3 mt -59.94 -30.86 69.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.26 -37.93 86.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.45 -31.56 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.782 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 58.3 mt -69.11 -30.0 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -75.73 -44.79 40.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -76.22 -51.13 12.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.44 -13.15 62.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.782 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -52.99 -29.05 26.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.732 0.301 . . . . 0.0 111.276 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.52 -30.63 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.1 -35.56 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.525 ' CG ' HD12 ' A' ' 91' ' ' LEU . 79.0 m-85 -74.97 151.37 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -102.58 -34.39 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -30.32 61.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 88' ' ' TYR . 3.0 mt -96.43 123.76 40.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.408 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -178.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 72.2 Cg_endo -76.45 -31.22 4.59 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -58.89 -53.79 54.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.54 -30.84 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.9 mt -80.16 -29.81 38.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.78 -61.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.9 pt -58.93 -31.61 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.76 77.57 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -58.88 -52.68 64.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.818 0.342 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -63.96 117.0 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.4 m -98.18 32.17 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.6 130.47 2.33 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.88 145.47 45.58 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.452 2.101 . . . . 0.0 112.3 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.6 p -112.62 31.91 6.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.4 135.42 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.467 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -123.69 84.69 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.19 133.92 26.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.37 -144.35 17.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 139.27 30.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -112.31 -31.69 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.67 -82.44 1.46 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.666 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.696 ' CG ' HD12 ' A' ' 11' ' ' ILE . 22.1 m170 -103.07 93.47 4.55 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.642 0.258 . . . . 0.0 111.003 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.15 -18.27 35.29 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.577 2.185 . . . . 0.0 112.573 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -99.92 -35.56 9.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.024 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 8' ' ' HIS . 25.7 mt -76.98 -32.16 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -36.0 78.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.39 -31.83 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD22 ' CD2' ' A' ' 63' ' ' LEU . 30.7 mt -73.6 -47.85 37.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -63.02 -51.41 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -64.03 -37.87 89.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -114.28 54.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.2 ttm-85 -88.0 -51.32 5.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -31.06 70.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 8.9 tp -71.8 -31.35 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 21' ' ' LEU . 16.7 mt -73.33 -31.67 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 59' ' ' VAL . 31.6 t -67.09 -29.2 45.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.7 m -84.51 -49.14 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.413 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -60.32 -53.57 56.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.45 135.89 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.75 -40.24 3.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -106.02 137.67 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.492 HG21 ' HB2' ' A' ' 58' ' ' LYS . 7.7 p -109.2 -34.81 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -59.57 -30.69 68.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.62 -49.32 78.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.2 mt -65.95 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -67.12 -30.92 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.23 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -70.87 -34.35 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -85.32 -31.07 23.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.662 HD11 ' HD1' ' A' ' 77' ' ' PHE . 8.5 mt -76.08 -31.52 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.98 -36.53 72.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -60.1 -40.33 89.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 68.3 m-80 -82.81 0.12 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.419 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t0 65.02 37.61 6.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -90.08 -39.74 12.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CD1' ' HE3' ' A' ' 69' ' ' LYS . 1.5 m-85 -96.66 131.46 43.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.3 m -73.26 168.13 19.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.2 -41.91 76.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.59 -38.22 83.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.81 -48.52 78.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.69 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -30.41 70.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.3 -39.38 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.182 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.27 -52.61 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 t -66.03 -29.47 69.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.63 -22.57 46.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.451 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -55.26 144.33 51.52 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.061 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.07 -39.16 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.645 2.23 . . . . 0.0 112.42 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.4 p -122.52 -177.35 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.404 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 2.3 tp60 -74.87 -53.27 3.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.049 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 73.5 Cg_exo -49.48 -27.63 14.5 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.529 2.153 . . . . 0.0 112.3 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.12 -36.08 61.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HB2' HG21 ' A' ' 28' ' ' THR . 3.1 mtpp -64.78 -51.46 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.7 t -55.15 -29.18 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.25 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -29.71 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -42.94 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.849 ' O ' HG23 ' A' ' 66' ' ' VAL . 62.3 mt -59.45 -42.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.548 ' CD2' HD22 ' A' ' 14' ' ' LEU . 25.7 mt -60.21 -42.42 95.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -31.27 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.2 mt -75.86 -45.05 37.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 62' ' ' ILE . 25.6 t -58.53 -38.28 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.558 ' HG2' HG23 ' A' ' 11' ' ' ILE . 44.1 mt-30 -65.44 -30.44 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -76.59 -33.08 58.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HD2' HG11 ' A' ' 73' ' ' VAL . 60.2 mttm -67.3 -41.07 86.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 120.45 178.5 16.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.564 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.22 -26.32 68.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -56.14 -32.33 64.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.456 HG11 ' HD2' ' A' ' 69' ' ' LYS . 20.3 t -102.93 -29.52 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.067 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.72 -38.62 78.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.9 -43.2 75.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -66.76 -39.56 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.662 ' HD1' HD11 ' A' ' 35' ' ' LEU . 39.2 t80 -60.15 -49.34 78.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -30.98 70.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.52 -35.64 80.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.69 -36.07 78.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.17 -31.2 70.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -81.54 -41.61 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.47 -44.37 67.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 84' ' ' LEU . 18.1 mt -69.28 -13.96 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.56 -26.53 13.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.416 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.0 -30.7 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.013 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.09 -32.85 9.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.9 123.49 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -100.45 31.41 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -135.15 -46.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 mt -80.73 122.89 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.507 ' HA ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -179.49 -52.56 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.7 Cg_exo -62.58 -30.38 79.22 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.498 2.132 . . . . 0.0 112.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -76.38 -46.73 26.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 92' ' ' ARG . 6.9 mt -56.79 -31.12 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mt -85.73 -30.33 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.02 -57.41 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 pt -66.78 -28.84 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.7 88.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -89.02 126.77 35.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.7 t -157.53 152.58 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.3 139.96 29.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.34 65.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.46 123.19 9.64 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.614 2.209 . . . . 0.0 112.246 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.4 m -89.24 157.5 18.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.9 t -96.11 135.88 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.525 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -150.14 -56.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -103.91 -53.97 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.34 -166.68 39.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -110.1 -36.6 5.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -105.55 145.01 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.51 -47.67 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.553 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.754 ' CG ' HD12 ' A' ' 11' ' ' ILE . 30.5 m170 -130.0 82.14 67.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.281 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.2 -28.04 40.32 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.617 2.211 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -80.36 -42.25 23.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.754 HD12 ' CG ' ' A' ' 8' ' ' HIS . 36.4 mt -74.42 -38.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -61.91 -31.2 71.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.44 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 21' ' ' LEU . 71.4 mt -81.73 -48.72 11.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.002 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -61.63 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.3 t -86.43 -45.61 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -100.14 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.827 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.6 ttm180 -77.37 -31.54 54.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.52 -32.18 58.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.1 tp -76.23 -32.55 58.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 25' ' ' ILE . 47.5 mt -71.18 -36.16 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.9 t -73.34 -30.07 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -83.01 -30.27 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -89.71 -55.07 3.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.962 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.57 HD11 HD22 ' A' ' 21' ' ' LEU . 37.3 mt -66.49 116.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.108 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -109.4 -34.42 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.91 110.0 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 p -96.68 -41.21 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -56.19 -29.7 61.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.7 m -69.55 -38.75 77.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 77' ' ' PHE . 10.7 mt -75.5 -35.51 60.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 28' ' ' THR . 21.9 t -71.76 -32.87 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.04 -54.07 43.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -59.72 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.677 HD13 ' CE1' ' A' ' 41' ' ' PHE . 70.1 mt -59.84 -31.23 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD11 HG12 ' A' ' 32' ' ' VAL . 19.0 mt -76.0 -46.8 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -63.83 -32.15 73.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.7 0.12 44.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.359 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.2 58.68 1.12 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -121.83 -42.95 2.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.677 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.5 m-85 -97.05 145.12 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.9 m -90.92 168.19 11.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.73 -31.31 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -78.12 -30.86 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' OD2' HD22 ' A' ' 65' ' ' LEU . 1.3 m-20 -75.08 -47.04 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.22 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -64.46 -32.76 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mt -72.59 -31.52 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.09 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.72 -51.75 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.69 -31.51 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.66 -20.87 59.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.351 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.5 m -54.57 138.16 61.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.4 -31.53 3.44 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.546 2.164 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.3 p -122.9 178.75 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.02 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 4.8 tp60 -76.75 -51.04 2.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 71.8 Cg_exo -48.79 -27.0 10.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.521 2.147 . . . . 0.0 112.409 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.61 -35.27 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.792 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' CB ' HG21 ' A' ' 28' ' ' THR . 18.8 mtpt -63.49 -48.89 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 28' ' ' THR . 39.4 t -63.39 -42.8 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.3 mtt180 -68.37 -30.5 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -68.73 -41.73 78.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.732 ' O ' HG23 ' A' ' 66' ' ' VAL . 12.3 mt -65.89 -42.54 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 60' ' ' ARG . 15.0 mt -60.64 -40.17 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -69.81 -32.03 70.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.407 HD22 ' OD2' ' A' ' 45' ' ' ASP . 78.6 mt -74.23 -45.43 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 62' ' ' ILE . 30.1 t -64.74 -37.27 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -66.75 -31.46 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -73.39 -33.62 65.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -66.37 -45.59 79.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.76 -163.65 24.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -26.47 41.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -31.47 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.598 HG12 HG13 ' A' ' 66' ' ' VAL . 21.4 t -99.92 -30.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -61.22 -33.05 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -75.31 -42.07 55.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -68.23 -33.9 75.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.66 ' HA ' HD12 ' A' ' 80' ' ' LEU . 33.4 t80 -72.89 -32.55 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 81' ' ' LEU . 20.3 mt -77.86 -31.49 51.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -65.97 -34.92 79.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 77' ' ' PHE . 6.2 mt -62.24 -37.02 83.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 78' ' ' LEU . 12.1 mt -59.62 -29.92 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -60.74 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.96 -44.54 92.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 80' ' ' LEU . 89.1 mt -67.0 -14.49 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.368 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.54 10.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.441 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -59.16 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.993 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.98 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -72.57 176.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.18 -46.97 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.47 -32.64 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.54 107.9 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 1.7 ttp180 -179.2 -61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 33.1 Cg_endo -64.22 -27.65 64.3 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.438 2.092 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.7 t90 -67.36 -43.91 80.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.83 -51.01 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.09 -31.27 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -65.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 pt -60.66 -28.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.68 87.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.53 ' HE2' HD13 ' A' ' 78' ' ' LEU . 3.3 t80 -108.71 106.17 16.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -131.74 -62.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m 60.58 31.35 20.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -148.07 126.58 2.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.383 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.38 -45.16 0.88 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.436 2.091 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.3 m -138.38 150.8 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.5 t -83.01 115.84 22.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.469 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -172.84 36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -79.5 -33.66 41.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.13 104.6 1.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.45 61.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.963 0.411 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.72 140.01 20.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 -167.15 31.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.466 ' CG ' HD12 ' A' ' 11' ' ' ILE . 21.0 m80 -108.13 88.65 4.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.676 0.274 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.87 -18.75 47.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.529 2.153 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -93.74 -38.29 11.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.609 HG23 ' HA ' ' A' ' 67' ' ' GLN . 29.7 mt -76.3 -43.75 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.223 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.96 -30.97 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.79 -31.57 71.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD23 HD11 ' A' ' 21' ' ' LEU . 57.8 mt -78.94 -41.39 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -70.02 -52.97 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 t -60.08 -44.97 94.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -101.0 34.43 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.2 ttm180 -69.82 -44.54 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.4 -31.18 71.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 94' ' ' TRP . 2.5 tp -75.58 -43.07 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.625 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 92.2 mt -65.31 -35.6 81.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 18' ' ' ARG . 28.0 t -71.96 -28.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.3 m -86.33 -35.98 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.981 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.411 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 5.6 m-70 -81.71 -54.39 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 124.91 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -111.48 -44.59 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -89.41 127.52 35.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.705 HG22 HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -106.85 -34.16 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -57.68 -36.61 72.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.2 m -60.2 -39.97 88.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.11 -34.11 65.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 28' ' ' THR . 21.6 t -76.73 -33.39 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -40.73 83.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -70.97 -47.17 60.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 41' ' ' PHE . 21.9 mt -60.32 -35.98 76.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.72 -46.31 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -60.97 -37.47 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -82.78 0.08 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.35 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 65.98 71.14 0.42 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -132.34 -48.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.621 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.3 m-85 -93.63 151.85 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m -104.36 168.73 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.94 71.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -76.71 -31.82 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.91 -48.33 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.37 71.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -36.8 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.8 mt -70.52 -36.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.27 -61.35 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -60.47 -28.53 68.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.38 37.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.352 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.79 156.38 4.95 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -77.99 -39.21 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.601 2.2 . . . . 0.0 112.4 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.1 p -130.91 -177.34 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -72.53 -52.45 6.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.4 Cg_exo -50.31 -28.09 19.7 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.594 2.196 . . . . 0.0 112.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.89 -32.84 34.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -63.94 -42.49 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.476 HG22 HG23 ' A' ' 28' ' ' THR . 25.5 t -62.8 -33.08 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -71.34 -31.94 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -72.65 -42.13 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.749 ' O ' HG23 ' A' ' 66' ' ' VAL . 52.8 mt -65.13 -36.08 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.26 -36.81 80.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.82 -40.25 91.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.98 -50.79 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.6 t -58.99 -37.11 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.609 ' HA ' HG23 ' A' ' 11' ' ' ILE . 57.0 mt-30 -70.19 -31.01 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.5 m -80.54 -33.57 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.545 ' HD2' HG11 ' A' ' 73' ' ' VAL . 26.4 mttm -59.46 -56.69 18.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.18 -170.59 24.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.567 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -73.0 -28.43 62.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.309 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -30.51 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.545 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.4 t -105.98 -30.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 t -59.55 -37.24 77.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.01 -37.9 75.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -70.31 -46.98 63.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.453 ' HD1' HD11 ' A' ' 35' ' ' LEU . 81.0 t80 -60.13 -38.82 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.19 -31.23 62.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -61.05 -38.13 85.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.19 -36.37 81.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 33.2 mt -59.47 -30.7 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -52.11 8.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -63.45 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.91 -22.9 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.69 -29.63 18.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.349 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.19 -30.44 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.93 -35.56 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.406 ' CD2' HD12 ' A' ' 91' ' ' LEU . 5.7 m-85 -78.52 162.12 26.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.29 -39.82 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.84 -43.61 75.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.406 HD12 ' CD2' ' A' ' 88' ' ' TYR . 11.5 mt -81.07 113.11 19.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.466 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 48.7 ttm-85 179.22 -58.81 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 92' ' ' ARG . 30.9 Cg_endo -63.26 -27.17 72.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.264 1.976 . . . . 0.0 112.361 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.625 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 29.3 t90 -71.71 -49.77 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.44 -44.26 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.51 -30.05 68.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -69.03 -66.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.57 -34.6 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.01 61.91 1.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.46 34.61 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 m -112.16 174.23 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.77 108.05 7.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 158.21 -146.61 13.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -50.9 133.85 40.82 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.64 2.226 . . . . 0.0 112.297 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m -106.53 172.47 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -112.02 45.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.519 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -103.83 92.17 4.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 60.31 176.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.89 112.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -158.61 35.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.25 -56.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.41 -40.87 2.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.871 ' CG ' HD12 ' A' ' 11' ' ' ILE . 21.6 m80 -117.66 90.86 36.93 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.707 0.289 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -69.13 -23.01 34.12 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.617 2.211 . . . . 0.0 112.443 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.43 ' HD2' HD12 ' A' ' 78' ' ' LEU . 16.7 m80 -93.07 -36.24 12.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.871 HD12 ' CG ' ' A' ' 8' ' ' HIS . 40.7 mt -73.73 -30.44 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.252 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -70.23 -31.44 68.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.0 -31.02 69.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.554 HD22 HD23 ' A' ' 63' ' ' LEU . 15.1 mt -78.84 -42.25 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HE2' HG22 ' A' ' 11' ' ' ILE . 23.0 mttm -73.43 -51.63 16.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.54 74.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -115.03 39.53 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -68.11 -60.59 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -31.03 68.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 2.8 tp -71.59 -35.88 70.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 25' ' ' ILE . 34.8 mt -73.7 -31.93 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.3 t -64.57 -29.24 46.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.2 m -94.79 -44.15 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.4 m-70 -59.67 -54.49 45.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 21' ' ' LEU . 32.1 mt -70.29 131.73 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.048 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -120.47 -42.53 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.13 87.22 7.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 32' ' ' VAL . 76.7 p -73.39 -34.75 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -64.51 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.62 -52.08 54.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.15 -41.43 92.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 28' ' ' THR . 30.8 t -70.63 -33.04 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.3 -51.03 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' HD11 ' A' ' 84' ' ' LEU . 6.0 m-20 -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 77' ' ' PHE . 38.4 mt -62.56 -31.32 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.9 mt -77.21 -36.58 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -68.86 -35.77 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.54 0.26 43.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.431 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.69 56.1 0.94 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.985 0.421 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -116.13 -43.59 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.741 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.41 144.44 29.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -102.81 164.44 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.7 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.97 -28.71 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' HB3' HD13 ' A' ' 65' ' ' LEU . 17.9 m-20 -81.82 -50.89 8.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.92 -29.96 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.159 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.79 -34.24 77.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 18.8 mt -73.17 -41.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.82 -56.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 66.0 m -59.74 -29.61 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 48' ' ' ILE . . . -57.58 -23.54 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.317 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.8 m -54.98 146.41 38.52 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.14 -44.3 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.561 2.174 . . . . 0.0 112.575 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.5 p -113.03 -176.8 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.3 OUTLIER -78.98 -52.91 1.18 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.018 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.1 Cg_exo -50.55 -28.29 21.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.431 2.088 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.54 -34.94 60.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -63.69 -49.18 74.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.514 HG11 ' HA ' ' A' ' 22' ' ' VAL . 21.5 t -56.98 -34.94 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.558 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -71.12 -31.18 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -70.49 -37.99 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.0 mt -64.57 -41.83 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.006 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 60' ' ' ARG . 12.1 mt -61.68 -45.45 93.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.77 -33.17 73.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 45' ' ' ASP . 34.6 mt -71.51 -53.82 12.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 62' ' ' ILE . 21.7 t -59.03 -46.55 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -59.9 -30.85 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -80.15 -33.61 38.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.516 ' HD2' HG11 ' A' ' 73' ' ' VAL . 53.6 mttm -60.21 -67.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.81 -178.17 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.85 -28.91 67.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.31 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.81 -36.15 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.516 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.5 t -93.84 -30.97 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -59.56 -30.98 69.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -76.63 -48.84 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 80' ' ' LEU . 69.1 t80 -61.25 -43.3 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.422 ' CD1' HD11 ' A' ' 35' ' ' LEU . 22.4 t80 -59.11 -40.13 84.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.43 HD12 ' HD2' ' A' ' 10' ' ' HIS . 85.6 mt -79.99 -30.47 39.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.12 -31.39 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 76' ' ' PHE . 5.3 mt -66.88 -34.87 78.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.743 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 43.7 mt -59.47 -31.1 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.43 -39.05 62.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -73.34 -53.05 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.445 HD11 ' ND2' ' A' ' 34' ' ' ASN . 82.0 mt -68.34 -19.46 64.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.31 -26.71 7.9 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.541 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -30.48 64.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.994 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -111.27 34.31 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.759 ' CD2' HD12 ' A' ' 91' ' ' LEU . 8.8 m-85 -131.11 157.36 43.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.7 t -115.8 -52.39 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.43 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.759 HD12 ' CD2' ' A' ' 88' ' ' TYR . 12.8 mt -84.55 113.7 21.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.431 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.1 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.431 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 19.1 Cg_exo -65.96 -34.37 38.86 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.519 2.146 . . . . 0.0 112.122 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -59.21 -50.42 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.84 -36.69 70.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.97 -30.28 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.43 -52.03 13.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 35.3 pt -73.36 -30.08 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.72 49.63 17.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -66.39 103.29 1.0 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.334 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -63.67 142.43 58.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.95 -175.83 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.07 159.76 10.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.62 -28.21 26.2 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.581 2.187 . . . . 0.0 112.376 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.3 m -141.67 96.59 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -97.69 37.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.507 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.03 -53.62 8.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.49 -177.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.62 98.3 0.16 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 p -143.01 172.32 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.815 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.77 88.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.17 -153.74 45.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.552 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -106.93 102.25 41.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.584 0.23 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.61 -24.7 9.82 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.597 2.198 . . . . 0.0 112.678 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -86.82 -49.97 7.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.213 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 mt -72.25 -45.41 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -30.56 60.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.055 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 13' ' ' LEU . 12.5 mt -63.96 -39.69 94.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD22 ' CD2' ' A' ' 63' ' ' LEU . 19.6 mt -67.93 -44.98 75.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -58.94 -31.05 68.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -87.31 -41.35 13.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -102.8 36.05 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.13 -56.64 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.94 -31.98 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.07 -44.62 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.897 HD22 HD11 ' A' ' 25' ' ' ILE . 10.5 mt -60.02 -31.28 69.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 18' ' ' ARG . 26.0 t -68.2 -32.93 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.7 m -81.89 -30.05 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -82.52 -52.84 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.897 HD11 HD22 ' A' ' 21' ' ' LEU . 49.9 mt -69.58 136.68 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.16 -37.52 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -105.16 117.16 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.57 ' CG2' HG22 ' A' ' 59' ' ' VAL . 4.3 p -95.16 -32.65 12.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -29.82 70.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -40.38 82.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.79 -43.4 54.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.0 t -63.15 -34.65 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.71 -50.29 65.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.44 -44.61 86.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.78 HD13 ' CE1' ' A' ' 41' ' ' PHE . 18.1 mt -60.25 -43.58 96.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.86 -45.35 94.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -62.88 -34.74 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.74 0.08 45.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.411 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.41 46.45 3.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.935 0.398 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -106.64 -43.23 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.78 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.0 m-85 -93.86 135.04 35.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -176.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.26 -30.66 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.62 -32.32 36.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 48' ' ' ILE . 3.8 m-20 -67.3 -35.49 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.33 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.68 -29.34 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 45' ' ' ASP . 28.5 mt -68.4 -40.02 81.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.46 -51.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.38 -26.22 68.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.9 49.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.393 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.53 141.37 83.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.37 -36.01 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.487 2.125 . . . . 0.0 112.418 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.7 p -118.52 171.84 7.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -67.54 -52.68 26.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.36 -33.59 37.8 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.64 -31.21 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HB2' HG21 ' A' ' 28' ' ' THR . 4.4 mtpp -71.16 -37.28 72.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 22' ' ' VAL . 39.2 t -66.47 -32.51 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -77.24 -30.56 54.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.01 -43.63 57.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 66' ' ' VAL . 6.5 mt -62.54 -45.54 98.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 14' ' ' LEU . 19.0 mt -58.53 -39.62 80.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -68.54 -33.98 75.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD22 ' OD2' ' A' ' 45' ' ' ASP . 68.9 mt -71.07 -47.65 57.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 62' ' ' ILE . 22.8 t -59.33 -40.71 82.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.03 -31.36 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -73.68 -33.59 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -65.97 -60.72 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 154.57 -158.57 28.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 -27.63 22.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.03 -47.39 81.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.73 -30.41 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -61.21 -47.62 85.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.52 -40.0 89.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -68.03 -45.01 75.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -59.71 -40.43 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 81' ' ' LEU . 58.8 mt -75.05 -30.54 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -61.84 -41.45 97.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.55 -35.17 75.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 78' ' ' LEU . 8.1 mt -59.58 -30.93 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.655 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -82.66 -39.33 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -31.34 63.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.33 -10.14 45.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.353 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.76 -25.7 20.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.686 0.279 . . . . 0.0 111.332 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -30.56 64.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.76 32.07 5.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -132.79 162.4 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.58 36.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -144.94 -43.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.086 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.79 27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 0.9 OUTLIER -74.79 -61.14 1.13 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.969 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 58.2 Cg_endo -71.86 -24.96 20.54 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 112.474 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -58.2 -30.44 66.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.655 HD13 ' HG2' ' A' ' 82' ' ' GLN . 9.8 mt -80.36 -34.1 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.78 -31.34 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.52 -67.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.3 pt -59.74 -36.48 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.77 66.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -91.2 -30.43 16.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -59.22 164.79 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -82.8 95.06 7.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.67 151.11 5.7 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.575 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.16 169.06 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.605 2.204 . . . . 0.0 112.297 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.4 m -166.01 -43.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.86 -76.6 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.498 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.88 -57.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -89.16 -31.2 18.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.69 -94.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -98.84 -170.35 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -127.11 135.11 50.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.32 94.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.552 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.411 ' CG ' HD12 ' A' ' 11' ' ' ILE . 72.9 m80 -111.17 137.5 20.99 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.66 0.267 . . . . 0.0 110.826 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.72 -13.32 11.91 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.516 2.144 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -110.44 -45.26 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 15' ' ' LYS . 29.8 mt -68.12 -45.92 82.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.341 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -59.03 -29.9 67.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.99 -31.36 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.18 -47.4 11.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HD2' HG22 ' A' ' 11' ' ' ILE . 6.9 mttp -58.36 -53.51 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -49.34 76.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -97.64 45.05 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -76.5 -59.53 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.59 -30.78 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.98 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.5 tp -73.13 -30.88 63.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.557 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 41.8 mt -80.68 -30.8 36.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.9 t -68.73 -30.05 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -83.66 -33.45 25.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -76.7 -57.29 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.38 120.52 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.11 -45.78 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.5 123.55 35.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -101.67 -33.19 9.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -56.54 -28.76 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.74 -43.8 75.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD22 ' CE1' ' A' ' 77' ' ' PHE . 11.1 mt -67.14 -42.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.67 -33.04 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.074 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.2 -46.25 87.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -69.6 -37.74 77.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' A' ' 41' ' ' PHE . 37.6 mt -67.72 -31.37 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -73.32 -37.46 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -37.63 87.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.63 0.02 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.456 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 61.57 59.1 1.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.88 -44.83 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.3 m-85 -86.89 122.86 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.82 161.28 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.71 -31.26 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.77 -38.8 37.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.703 ' HA ' HD12 ' A' ' 48' ' ' ILE . 1.1 m-20 -63.26 -34.06 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.74 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.31 -35.5 76.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 45' ' ' ASP . 8.4 mt -66.97 -36.72 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.177 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 45' ' ' ASP . 28.4 t -63.27 -57.03 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.84 -29.12 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.38 -25.33 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.9 m -56.31 141.76 69.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.4 -40.81 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.493 2.129 . . . . 0.0 112.419 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.5 p -110.95 169.36 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.6 tp60 -70.49 -52.54 11.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.0 Cg_exo -50.51 -30.71 28.65 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.49 2.126 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.17 -34.78 68.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -65.48 -46.11 81.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 22' ' ' VAL . 17.4 t -58.35 -49.67 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HA ' HD12 ' A' ' 63' ' ' LEU . 9.2 ttt85 -63.28 -29.18 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -68.96 -46.04 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 66' ' ' VAL . 59.6 mt -63.04 -46.66 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 60' ' ' ARG . 15.7 mt -56.47 -41.49 76.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.0 -30.86 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -73.16 -50.89 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.9 t -57.94 -30.38 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.03 -34.75 78.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.5 t -78.5 -32.96 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HB3' HG21 ' A' ' 73' ' ' VAL . 60.3 mttm -61.92 -36.37 81.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.27 -176.93 16.32 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.577 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.54 -26.64 63.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.66 -30.53 61.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 69' ' ' LYS . 21.4 t -101.21 -30.92 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.421 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.6 t -61.86 -38.29 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.16 -43.39 95.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -72.4 -41.84 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.506 ' CE1' HD22 ' A' ' 31' ' ' LEU . 53.5 t80 -60.1 -30.59 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 74' ' ' SER . 8.2 mt -82.95 -30.24 28.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.89 -43.22 79.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.57 -35.03 71.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.742 HD22 HD22 ' A' ' 91' ' ' LEU . 3.4 mt -61.01 -22.14 64.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' HA ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.21 -50.91 9.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.108 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -67.29 -48.26 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.9 -28.08 68.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.77 -28.48 22.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.438 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -60.25 -29.6 68.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.17 -34.57 11.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -71.68 161.41 31.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 89' ' ' VAL . 13.5 t -124.51 30.23 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.74 -45.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.742 HD22 HD22 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -87.05 131.69 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.62 -58.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.11 -26.18 9.45 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.504 2.136 . . . . 0.0 112.44 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.557 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 40.1 t90 -63.9 -44.8 91.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 82' ' ' GLN . 4.9 mt -67.07 -33.37 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.32 -31.72 67.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.19 -35.12 75.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.9 pt -81.66 -30.87 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.44 52.55 4.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.86 120.39 40.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -176.55 -69.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.79 100.63 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 101.39 74.17 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.29 96.84 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.615 2.21 . . . . 0.0 112.29 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.0 p -163.1 158.63 22.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.11 171.02 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.423 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -72.74 -31.48 64.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -141.05 88.92 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.65 -44.14 6.99 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 61.07 43.66 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.941 0.401 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -114.75 151.86 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.67 -57.07 0.49 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.739 ' CG ' HD12 ' A' ' 11' ' ' ILE . 35.5 m170 -115.08 83.89 10.32 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -51.17 -32.06 38.64 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.61 2.207 . . . . 0.0 112.455 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -81.14 -47.65 13.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.981 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.739 HD12 ' CG ' ' A' ' 8' ' ' HIS . 43.2 mt -65.7 -33.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.093 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.95 -31.69 72.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.773 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.64 -30.48 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 63' ' ' LEU . 96.2 mt -85.21 -42.29 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -64.07 -49.75 71.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.66 -35.47 77.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -117.59 57.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.711 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.9 ttm105 -86.53 -43.14 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.31 -31.19 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.506 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 13.2 mt -64.09 -32.95 74.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 18' ' ' ARG . 25.8 t -64.54 -30.91 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -31.4 24.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -76.32 -45.56 31.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.586 HD12 ' CG1' ' A' ' 59' ' ' VAL . 20.7 mt -75.38 136.11 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -39.81 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -111.69 134.27 53.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.3 p -106.84 -28.46 10.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -57.31 -30.86 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.01 -50.49 66.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.644 HD22 ' CE1' ' A' ' 77' ' ' PHE . 7.7 mt -61.73 -45.23 94.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 28' ' ' THR . 26.7 t -62.24 -40.87 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -49.35 77.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -67.9 -40.06 83.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 41' ' ' PHE . 17.6 mt -65.85 -31.25 72.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 41' ' ' PHE . 56.7 mt -76.77 -38.23 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -65.52 -35.75 81.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -82.52 0.08 44.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.431 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t0 63.7 52.81 2.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.903 0.383 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' A' ' 73' ' ' VAL . 9.3 m-85 -117.15 -41.33 3.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.501 ' O ' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -97.66 130.13 44.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -85.08 166.35 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.59 69.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -41.95 76.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.668 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.4 m-20 -59.5 -51.06 71.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -29.99 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.62 -39.88 84.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 9.6 mt -69.18 -38.15 77.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.4 t -59.39 -54.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -28.74 67.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 48' ' ' ILE . . . -56.88 -23.85 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.282 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.2 m -55.58 149.96 27.54 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.59 -36.24 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.63 2.22 . . . . 0.0 112.448 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 p -130.55 -177.31 4.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.7 OUTLIER -71.88 -53.24 7.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 72.6 Cg_exo -48.72 -29.93 15.7 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.53 2.154 . . . . 0.0 112.442 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.89 -31.74 56.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.59 -47.4 66.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.586 ' CG1' HD12 ' A' ' 25' ' ' ILE . 29.3 t -58.93 -29.8 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.762 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.62 -30.62 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -71.54 -35.86 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 66' ' ' VAL . 24.3 mt -67.69 -38.49 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.05 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 60' ' ' ARG . 7.0 mt -62.88 -44.52 95.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -64.33 -34.66 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' A' ' 45' ' ' ASP . 19.2 mt -68.67 -50.61 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 62' ' ' ILE . 30.9 t -61.28 -41.9 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -61.44 -31.47 71.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -76.79 -31.4 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.602 ' HD3' HG21 ' A' ' 73' ' ' VAL . 66.8 mttm -65.75 -75.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.61 -167.86 37.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.18 -29.34 62.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -30.71 65.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.602 HG21 ' HD3' ' A' ' 69' ' ' LYS . 21.2 t -101.93 -30.55 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.6 t -61.18 -45.74 93.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -64.97 -42.15 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 80' ' ' LEU . 49.0 t80 -65.53 -43.45 89.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.644 ' CE1' HD22 ' A' ' 31' ' ' LEU . 59.5 t80 -64.87 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.556 ' HA ' HD12 ' A' ' 81' ' ' LEU . 68.1 mt -83.52 -30.88 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.49 -41.99 88.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 76' ' ' PHE . 9.0 mt -61.43 -30.33 70.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 78' ' ' LEU . 71.9 mt -59.88 -30.26 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.523 ' HG2' HD13 ' A' ' 95' ' ' LEU . 22.9 mt-30 -80.98 -47.74 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -68.94 -40.32 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.9 mt -73.79 -23.81 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.91 -28.13 15.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.377 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.34 -30.7 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.16 31.42 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -127.27 174.95 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.99 32.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.84 -50.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.4 mt -68.12 108.48 3.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.428 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -179.41 -52.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.986 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 32.9 Cg_exo -61.24 -32.2 90.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.491 2.127 . . . . 0.0 112.212 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.506 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 30.0 t90 -72.55 -40.89 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.523 HD13 ' HG2' ' A' ' 82' ' ' GLN . 56.7 mt -58.37 -48.73 79.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -30.93 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.68 -47.88 57.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.2 pt -76.69 -33.81 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.74 73.38 0.83 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -83.58 125.09 31.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.22 179.91 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.8 m -153.54 32.24 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.97 126.83 6.12 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.388 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.85 98.25 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.385 2.057 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.7 t -145.72 142.29 28.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.7 p -147.89 117.82 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.503 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -64.25 147.64 51.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -142.12 146.87 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.86 -75.37 1.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -117.46 138.67 51.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 m -136.28 -46.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.98 69.02 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.399 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.768 ' CG ' HD12 ' A' ' 11' ' ' ILE . 39.5 m80 -151.9 103.88 2.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.55 0.214 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 8' ' ' HIS . 41.5 Cg_endo -67.55 -18.44 48.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.397 2.064 . . . . 0.0 112.457 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -98.95 -40.71 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.768 HD12 ' CG ' ' A' ' 8' ' ' HIS . 27.0 mt -73.49 -40.51 55.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -31.63 69.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.17 -30.9 69.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 63' ' ' LEU . 25.7 mt -81.26 -47.09 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -64.28 -51.98 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -53.29 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -95.36 43.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.896 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.5 ttm180 -76.7 -60.1 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.62 -31.15 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.11 -45.3 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.635 HD22 HD11 ' A' ' 25' ' ' ILE . 16.0 mt -64.25 -31.51 72.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 18' ' ' ARG . 22.3 t -64.81 -30.87 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -86.78 -37.33 17.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -67.99 -58.41 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.635 HD11 HD22 ' A' ' 21' ' ' LEU . 11.4 mt -67.89 136.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -35.14 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.42 141.67 41.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.8 p -113.4 -34.59 5.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -30.0 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.6 -41.32 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.2 mt -78.19 -46.66 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 28' ' ' THR . 21.7 t -59.33 -39.62 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.49 -52.12 65.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -64.78 -45.76 84.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 31' ' ' LEU . 6.8 mt -60.16 -31.05 69.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.6 mt -77.16 -35.55 55.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -34.08 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 2.5 m-80 -82.62 0.13 44.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.371 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t0 64.33 35.22 9.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 6.9 m-85 -94.15 -50.42 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CE1' HD22 ' A' ' 35' ' ' LEU . 3.3 m-85 -83.91 125.09 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -67.55 166.07 15.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -31.21 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.51 -37.94 62.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -69.18 -36.09 76.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.27 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.59 -29.31 64.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' ASP . 19.9 mt -71.24 -30.17 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.3 t -71.14 -52.67 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.033 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.52 -25.06 64.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.997 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.24 -28.74 55.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -59.26 138.22 88.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.39 -41.1 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.509 2.139 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.0 p -111.2 175.94 5.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.41 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.3 tp60 -75.03 -52.68 3.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.7 Cg_exo -50.36 -27.48 18.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.535 2.157 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -34.33 54.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -63.54 -34.15 77.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 22' ' ' VAL . 28.9 t -63.24 -45.93 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 63' ' ' LEU . 8.9 ttt180 -66.19 -29.67 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.052 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HD2' HG22 ' A' ' 48' ' ' ILE . 14.7 tppt? -73.19 -47.33 44.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.925 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.858 ' O ' HG23 ' A' ' 66' ' ' VAL . 6.9 mt -60.09 -41.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 60' ' ' ARG . 14.4 mt -62.12 -45.35 93.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.33 -42.3 98.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.34 -43.65 96.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 62' ' ' ILE . 24.6 t -59.69 -30.78 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -71.78 -32.56 67.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -33.3 48.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HE3' ' CE1' ' A' ' 41' ' ' PHE . 54.7 mttm -63.57 -48.3 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.19 176.17 14.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -63.97 -27.59 69.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -29.9 61.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.14 -30.74 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.444 ' O ' HD12 ' A' ' 78' ' ' LEU . 1.4 t -60.67 -39.77 89.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.44 -43.47 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.17 -40.62 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.596 ' HA ' HD12 ' A' ' 80' ' ' LEU . 83.0 t80 -62.32 -53.22 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 74' ' ' SER . 0.5 OUTLIER -59.77 -30.94 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.59 -37.18 84.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 77' ' ' PHE . 9.2 mt -59.81 -36.73 77.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.726 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 86.0 mt -60.26 -31.08 69.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -44.91 50.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -47.53 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -72.11 -20.93 61.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.189 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.27 -24.99 12.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.348 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.65 -29.73 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.17 -47.63 7.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -60.7 146.83 44.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.4 m -102.22 -37.61 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.24 -33.72 63.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.7 104.61 13.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.449 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.5 ttp85 -177.81 -53.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 29.3 Cg_exo -61.7 -37.54 67.54 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.499 2.133 . . . . 0.0 112.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.413 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 29.1 t90 -62.12 -51.23 68.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.42 -52.74 62.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.26 -29.7 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -62.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 pt -58.89 -25.87 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.293 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.66 63.37 4.5 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -59.99 -66.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.9 t -98.11 119.58 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 t -95.2 69.13 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -135.25 148.74 19.71 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.59 -45.37 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.637 2.225 . . . . 0.0 112.265 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.2 m -137.67 135.91 36.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -172.08 125.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.53 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.5 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -172.73 99.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.89 -178.72 52.47 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.23 -50.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.833 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 m -77.41 154.18 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.43 -171.29 17.1 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.57 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.511 ' CD2' HD12 ' A' ' 11' ' ' ILE . 41.4 m80 -109.52 98.34 31.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.66 -19.73 47.5 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.462 2.108 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -97.01 -39.98 9.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.511 HD12 ' CD2' ' A' ' 8' ' ' HIS . 29.1 mt -76.77 -33.83 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.193 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.98 -30.11 70.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.0 mt -58.65 -31.6 68.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.993 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 63' ' ' LEU . 6.6 mt -81.18 -45.77 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.976 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.37 -35.05 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.39 -39.6 38.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.719 ' O ' HD12 ' A' ' 21' ' ' LEU . 38.4 m-80 -107.05 36.77 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 22' ' ' VAL . 10.6 ttm105 -61.07 -52.41 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.4 -31.89 65.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 tp -72.56 -31.11 65.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 17' ' ' ASN . 1.3 mt -72.98 -30.58 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 18' ' ' ARG . 29.9 t -73.59 -38.74 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.1 m -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -86.09 -58.13 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.447 HG12 HD11 ' A' ' 91' ' ' LEU . 34.5 mt -66.46 126.66 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.073 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.61 -36.81 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -100.21 116.2 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.75 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.3 p -102.04 -29.23 11.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -57.26 -43.59 83.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -42.07 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.8 -37.62 79.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 28' ' ' THR . 30.5 t -74.25 -35.03 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.01 79.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.45 -40.86 93.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 41' ' ' PHE . 50.3 mt -64.86 -31.62 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.802 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.3 mt -75.34 -41.4 56.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -33.58 70.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 2.7 m-80 -78.16 -4.55 48.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.392 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.26 37.17 2.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 7.6 m-85 -100.56 -48.78 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.808 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 35' ' ' LEU . 1.2 m-85 -93.37 130.65 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 m -84.92 167.68 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.26 72.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.03 -31.71 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.18 -53.18 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.39 -29.22 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -30.21 70.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.04 -38.07 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.97 -50.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.8 m -64.81 -27.85 69.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.378 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.0 m -55.25 151.15 19.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.043 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.6 -44.71 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.606 2.204 . . . . 0.0 112.467 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.6 p -116.78 -177.68 3.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.99 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' CB ' ' HD3' ' A' ' 56' ' ' PRO . 1.1 mp0 -75.35 -53.73 2.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' CB ' ' A' ' 55' ' ' GLN . 65.0 Cg_exo -51.26 -27.87 24.56 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.493 2.129 . . . . 0.0 112.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -31.79 58.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -67.55 -35.32 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.731 ' HA ' HD12 ' A' ' 62' ' ' ILE . 31.3 t -61.0 -51.29 74.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -29.66 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.095 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -72.75 -41.32 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 59' ' ' VAL . 7.7 mt -63.84 -41.06 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' HD22 ' A' ' 14' ' ' LEU . 35.7 mt -58.98 -45.46 90.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.36 -39.82 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.98 -56.49 14.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.8 t -59.41 -32.43 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -31.31 40.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.83 ' HD3' HG21 ' A' ' 73' ' ' VAL . 28.2 mttm -64.76 -70.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.18 -170.24 30.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.502 ' N ' HD11 ' A' ' 11' ' ' ILE . 10.7 mt-10 -64.36 -25.42 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.724 0.297 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -60.6 3.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' HD3' ' A' ' 69' ' ' LYS . 21.9 t -77.18 -33.38 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 78' ' ' LEU . 5.4 t -59.99 -30.78 69.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -73.94 -53.72 9.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.04 -39.64 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -59.67 -50.8 72.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 81' ' ' LEU . 7.2 mt -69.96 -30.89 68.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -60.3 -42.84 96.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -59.67 -36.53 76.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.747 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 48.6 mt -59.46 -26.74 65.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -83.08 -45.2 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -39.62 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.01 -21.09 43.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.89 -25.99 9.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.415 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.51 -29.66 62.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -113.99 37.65 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -129.31 152.4 48.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 m -111.06 -30.08 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.17 -39.18 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 81' ' ' LEU . 20.5 mt -99.93 125.82 45.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.409 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 1.1 mtt180 -179.79 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 92' ' ' ARG . 68.7 Cg_endo -74.18 -25.03 14.08 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.554 2.169 . . . . 0.0 112.463 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -57.47 -51.74 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.77 -30.59 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.26 -30.19 48.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -40.1 40.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.0 pt -75.34 -37.67 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.191 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.11 66.52 1.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.02 -50.45 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -140.34 142.98 35.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.3 t 63.74 134.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.9 -64.4 0.52 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 116.53 4.64 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.538 2.159 . . . . 0.0 112.307 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.46 113.79 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -83.4 172.4 12.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.317 -1.269 . . . . 0.0 112.517 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -139.16 119.63 13.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.746 0.308 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.38 30.35 19.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.69 -140.49 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.536 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -135.89 168.0 20.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.367 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -84.41 113.87 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.42 59.45 4.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.468 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.79 ' CG ' HD12 ' A' ' 11' ' ' ILE . 46.8 m80 60.74 111.31 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.557 0.218 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.63 -16.18 46.23 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.419 2.079 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' O ' HD11 ' A' ' 78' ' ' LEU . 55.5 m80 -95.23 -42.29 8.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.82 0.343 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.79 HD12 ' CG ' ' A' ' 8' ' ' HIS . 37.8 mt -74.46 -32.07 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -31.04 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.4 -31.53 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD22 HD23 ' A' ' 63' ' ' LEU . 4.5 mt -80.56 -47.38 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' HE3' HG22 ' A' ' 11' ' ' ILE . 45.9 mttt -59.41 -44.0 92.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 m -70.93 -52.97 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -93.18 48.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 ttm105 -79.06 -53.58 6.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.53 -30.92 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.67 -42.95 73.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.698 HD22 HD11 ' A' ' 25' ' ' ILE . 30.4 mt -62.06 -32.46 72.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 18' ' ' ARG . 28.7 t -66.35 -28.85 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.98 -36.27 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -73.59 -52.7 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.698 HD11 HD22 ' A' ' 21' ' ' LEU . 34.0 mt -71.76 136.72 25.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -115.12 -38.43 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -100.19 135.51 41.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.573 HG22 HG22 ' A' ' 59' ' ' VAL . 44.3 p -114.29 -34.1 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -57.38 -30.73 65.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.3 m -69.46 -32.65 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -79.73 -31.93 41.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 28' ' ' THR . 21.5 t -83.82 -31.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -54.15 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.38 -45.61 92.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.828 HD13 ' CE1' ' A' ' 41' ' ' PHE . 81.4 mt -59.82 -30.89 69.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.31 -42.15 55.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -29.81 68.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -82.0 0.1 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.44 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 67.38 32.61 5.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -97.47 -44.09 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.828 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.7 m-85 -94.92 168.05 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 m -133.42 170.14 15.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.18 -33.56 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.6 -46.75 71.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.527 ' CG ' HD22 ' A' ' 65' ' ' LEU . 6.9 m-20 -69.4 -36.32 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.61 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.2 OUTLIER -60.83 -29.96 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 45' ' ' ASP . 21.5 mt -74.94 -43.62 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.39 -57.58 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -59.97 -29.68 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 47' ' ' GLU . . . -57.4 -22.61 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.376 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.1 m -55.31 144.74 50.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.02 -37.53 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.541 2.161 . . . . 0.0 112.39 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.8 p -123.36 -177.01 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 2.3 tp60 -76.6 -52.36 2.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.06 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 78.2 Cg_exo -50.24 -27.95 19.01 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.565 2.177 . . . . 0.0 112.363 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -36.06 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.572 ' HB2' HG21 ' A' ' 28' ' ' THR . 9.8 mttp -64.27 -44.86 90.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG22 HG22 ' A' ' 28' ' ' THR . 23.9 t -59.47 -31.0 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.58 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.37 -28.75 41.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -78.3 -42.22 31.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.3 mt -59.16 -29.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 60' ' ' ARG . 8.7 mt -75.23 -40.71 58.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -31.18 71.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 45' ' ' ASP . 34.3 mt -72.94 -52.87 12.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.748 HG13 HG12 ' A' ' 73' ' ' VAL . 30.8 t -60.48 -30.56 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -72.28 -31.12 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -31.37 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.662 ' CD ' HG21 ' A' ' 73' ' ' VAL . 22.9 mttt -66.42 -70.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.12 -165.77 31.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.561 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG3' ' CD2' ' A' ' 8' ' ' HIS . 0.8 OUTLIER -69.73 -28.0 65.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.715 0.293 . . . . 0.0 111.029 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.13 -29.96 61.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.748 HG12 HG13 ' A' ' 66' ' ' VAL . 25.7 t -106.06 -30.57 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 78' ' ' LEU . 23.2 t -57.93 -36.24 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.84 -46.64 43.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 80' ' ' LEU . 51.0 t80 -63.45 -39.74 95.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.525 ' HD1' HD11 ' A' ' 35' ' ' LEU . 56.3 t80 -66.06 -37.47 85.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.682 ' HA ' HD12 ' A' ' 81' ' ' LEU . 1.4 mt -77.99 -31.21 50.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.46 -35.94 78.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 76' ' ' PHE . 50.5 mt -60.35 -42.27 95.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 78' ' ' LEU . 5.1 mt -59.86 -30.02 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -50.78 29.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -69.07 -48.32 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.2 mt -68.93 -13.13 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.345 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.44 -27.79 26.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -30.57 67.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.27 34.65 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -131.55 145.41 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.75 -52.33 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.19 -31.29 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.514 HD11 HG12 ' A' ' 25' ' ' ILE . 68.5 mt -95.19 125.16 39.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' CB ' ' CD ' ' A' ' 93' ' ' PRO . 6.3 mtt180 -179.77 -60.88 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.501 ' HA ' HD12 ' A' ' 96' ' ' LEU . 69.7 Cg_endo -74.61 -26.59 11.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.559 2.173 . . . . 0.0 112.395 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.445 ' CH2' HD21 ' A' ' 21' ' ' LEU . 27.8 t90 -59.24 -36.58 75.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.52 -31.42 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 93' ' ' PRO . 5.7 mt -80.2 -31.08 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -74.05 -41.07 62.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.2 pt -69.98 -32.55 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 89.59 54.99 2.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.39 119.03 29.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.7 m -122.72 159.51 27.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.7 p -74.55 178.95 4.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.45 -103.59 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.526 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.37 -51.19 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.427 2.085 . . . . 0.0 112.422 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.69 97.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.0 p -62.75 -66.27 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.272 -1.293 . . . . 0.0 112.571 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.38 143.08 30.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 60.6 97.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.58 62.8 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -158.53 134.14 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -159.09 102.75 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.14 -140.53 0.43 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.454 ' CG ' HD12 ' A' ' 11' ' ' ILE . 67.7 m80 -56.19 107.49 0.91 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.584 0.23 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.93 -22.28 73.72 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.561 2.174 . . . . 0.0 112.479 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -94.18 -51.53 4.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.238 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 HD12 ' CG ' ' A' ' 8' ' ' HIS . 33.8 mt -64.36 -28.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -76.48 -33.79 58.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.993 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 mt -60.2 -32.33 70.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.62 -49.13 11.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -59.83 -56.06 26.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -47.21 86.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -102.67 51.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.0 ttm180 -81.03 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -59.98 -31.17 69.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.25 -35.95 80.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.036 HD22 HD11 ' A' ' 25' ' ' ILE . 9.6 mt -71.32 -34.72 70.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.5 t -69.46 -29.19 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 m -81.42 -30.16 33.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.022 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -88.2 -56.58 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.036 HD11 HD22 ' A' ' 21' ' ' LEU . 45.6 mt -62.07 153.51 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.044 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' N ' HG22 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -136.6 -47.22 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -89.8 124.73 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.564 ' HB ' HD11 ' A' ' 62' ' ' ILE . 66.0 p -110.8 -29.63 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -30.37 64.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.011 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -73.28 -36.82 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 35' ' ' LEU . 13.9 mt -67.5 -38.92 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.94 -35.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.77 29.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -64.0 -32.91 74.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.603 HD11 ' HD1' ' A' ' 77' ' ' PHE . 20.9 mt -72.4 -33.28 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.31 -32.29 71.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -75.76 -31.32 59.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 4.6 m-80 -82.34 0.02 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.367 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t0 66.49 31.81 7.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.771 0.319 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 38' ' ' ASN . 18.5 m-85 -98.28 -32.8 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 35' ' ' LEU . 3.7 m-85 -113.99 151.92 31.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -118.14 169.03 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.44 69.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.35 -51.49 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.776 ' OD1' HD22 ' A' ' 65' ' ' LEU . 32.8 m-20 -63.95 -46.81 83.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.75 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -72.89 -41.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.5 t -59.44 -55.6 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.77 -29.22 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.9 -24.0 49.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.381 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.2 m -55.08 148.03 31.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.87 -36.11 2.22 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.628 2.219 . . . . 0.0 112.367 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.4 p -124.7 -177.11 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 1.1 tp60 -75.6 -52.15 2.93 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 77.2 Cg_exo -49.94 -28.97 19.86 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.6 2.2 . . . . 0.0 112.382 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.31 -30.9 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -70.09 -39.36 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.9 t -61.56 -42.75 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.32 -39.82 89.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -61.0 -43.21 99.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 59' ' ' VAL . 8.3 mt -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.983 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.524 HD21 HD13 ' A' ' 21' ' ' LEU . 66.1 mt -60.18 -45.31 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.3 -36.93 78.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.776 HD22 ' OD1' ' A' ' 45' ' ' ASP . 90.1 mt -67.25 -51.77 48.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 62' ' ' ILE . 22.0 t -59.4 -41.22 83.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -62.57 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -33.18 58.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.59 ' CD ' HG21 ' A' ' 73' ' ' VAL . 66.2 mttm -66.35 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.78 -169.3 29.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.549 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.8 -26.69 65.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.76 0.314 . . . . 0.0 111.04 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -56.13 -33.84 65.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.59 HG21 ' CD ' ' A' ' 69' ' ' LYS . 21.5 t -102.74 -32.23 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -60.11 -37.62 80.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -63.66 -50.16 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -64.59 -42.48 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.603 ' HD1' HD11 ' A' ' 35' ' ' LEU . 53.0 t80 -60.84 -42.97 98.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' A' ' 81' ' ' LEU . 1.8 mt -73.49 -30.15 62.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -63.3 -40.45 97.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.1 mt -63.93 -32.64 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 78' ' ' LEU . 38.9 mt -60.18 -30.37 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -41.52 48.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -76.76 -31.0 56.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 mt -86.9 -18.0 31.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -53.02 -29.19 28.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 111.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.87 -41.44 62.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -30.81 69.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -81.15 153.2 27.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 89' ' ' VAL . 15.6 t -110.13 29.62 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.6 -48.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.77 HD11 HG12 ' A' ' 25' ' ' ILE . 24.4 mt -70.51 116.38 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.447 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.4 ttt180 -177.56 -53.23 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 25.5 Cg_exo -62.59 -29.4 78.03 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.443 2.096 . . . . 0.0 112.215 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -73.67 -64.48 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.09 -32.4 61.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.09 -29.88 62.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.31 -53.28 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 pt -59.37 -29.89 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.9 53.18 9.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.92 124.98 23.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.33 95.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 p -176.6 147.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -116.52 -178.25 18.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.04 -168.78 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.308 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.9 m 60.33 96.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.8 p -118.76 141.99 48.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.511 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -82.2 91.57 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 t -125.08 161.84 25.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.61 44.84 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -164.98 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p -142.12 -47.33 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.06 107.11 2.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.737 ' CG ' HD12 ' A' ' 11' ' ' ILE . 29.4 m170 59.98 89.35 0.11 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.638 0.256 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.41 -22.04 39.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.583 2.189 . . . . 0.0 112.431 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -93.52 -37.76 11.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.004 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.737 HD12 ' CG ' ' A' ' 8' ' ' HIS . 27.9 mt -73.36 -32.38 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -39.19 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.22 -31.5 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 63' ' ' LEU . 61.7 mt -73.98 -45.01 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -70.89 -52.56 19.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -60.35 -36.47 78.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -115.22 40.33 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 22' ' ' VAL . 21.2 ttm180 -73.87 -53.84 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -33.6 72.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 19.1 tp -65.91 -42.06 90.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.69 HD22 HD11 ' A' ' 25' ' ' ILE . 13.8 mt -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.4 t -66.81 -31.26 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.2 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.6 m -88.61 -35.7 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 3.5 m-70 -74.21 -51.49 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 21' ' ' LEU . 46.5 mt -70.76 133.94 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.078 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.01 -49.76 2.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -95.61 122.05 37.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.85 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.2 p -96.4 -27.66 14.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -56.16 -36.88 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.71 -52.16 66.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 35' ' ' LEU . 3.3 mt -65.1 -31.5 72.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 28' ' ' THR . 28.0 t -75.95 -39.23 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -63.22 -48.71 77.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -65.52 -45.16 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.533 HD11 ' CD1' ' A' ' 77' ' ' PHE . 40.6 mt -59.9 -40.14 87.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.3 mt -68.75 -41.91 78.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -60.47 -34.08 73.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.704 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -82.88 0.23 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.401 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 62.89 37.89 11.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -96.38 -50.54 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.806 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.517 ' CZ ' HG23 ' A' ' 62' ' ' ILE . 2.4 m-85 -87.26 119.91 27.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 m -67.72 178.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 -37.1 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -45.26 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.7 m-20 -56.94 -48.34 78.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.49 67.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.261 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -39.86 68.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.87 -41.42 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 45' ' ' ASP . 21.6 t -61.12 -59.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.67 -28.17 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.32 -22.47 42.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.309 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.8 m -55.15 156.08 7.99 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.54 -40.01 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.635 2.223 . . . . 0.0 112.467 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.2 p -128.29 -177.44 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.016 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.55 -53.29 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.98 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 76.5 Cg_exo -49.64 -26.83 13.6 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.473 2.115 . . . . 0.0 112.435 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.02 -34.12 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -67.31 -34.78 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.29 -50.35 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.557 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -65.81 -32.18 73.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -65.32 -45.31 84.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 8.0 mt -63.25 -43.75 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD23 HD22 ' A' ' 14' ' ' LEU . 8.4 mt -60.13 -37.88 81.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.08 -40.28 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.48 -55.2 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 62' ' ' ILE . 23.8 t -57.46 -36.18 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -61.84 -29.66 70.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 t -85.63 -32.89 21.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HD2' HG11 ' A' ' 73' ' ' VAL . 31.2 mttm -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.69 -168.13 36.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.576 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -76.26 -28.0 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.438 HG11 ' HD2' ' A' ' 69' ' ' LYS . 21.9 t -92.38 -36.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.417 ' O ' HD12 ' A' ' 78' ' ' LEU . 28.9 t -60.16 -39.86 87.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.2 -44.98 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -66.82 -34.88 78.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.533 ' CD1' HD11 ' A' ' 35' ' ' LEU . 59.8 t80 -66.33 -49.06 68.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 74' ' ' SER . 0.4 OUTLIER -65.8 -31.03 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.3 -36.38 83.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 0.8 OUTLIER -58.25 -27.05 63.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.999 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -80.81 -40.36 25.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -44.25 56.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.32 -18.86 61.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -51.26 -26.94 8.01 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.79 0.328 . . . . 0.0 111.427 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.37 -30.96 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.4 -46.46 8.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.96 139.1 58.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.0 m -109.32 30.17 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 -57.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.42 114.62 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.501 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 3.7 ttt180 -168.28 -56.21 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 24.1 Cg_exo -63.34 -31.41 73.14 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.391 2.06 . . . . 0.0 111.959 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -72.57 -43.85 62.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.4 mt -58.96 -47.28 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.23 -31.43 69.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.44 -54.17 47.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.6 pt -75.89 -33.94 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.36 91.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 2.1 t80 -95.11 43.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 m -168.35 150.17 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.77 110.19 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -110.3 143.98 16.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.44 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.05 -44.37 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.494 2.13 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 t -90.85 170.11 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.6 m 60.64 37.36 19.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.492 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -100.95 -45.5 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.729 0.3 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -60.2 -57.79 11.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.36 -28.09 17.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m 60.72 165.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -172.09 -178.23 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 8' ' ' HIS . . . -118.67 134.81 11.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.6 ' CG ' HD12 ' A' ' 11' ' ' ILE . 26.6 m80 -150.85 79.08 7.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.687 0.279 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.46 -22.94 17.61 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.629 2.219 . . . . 0.0 112.713 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -93.7 -42.59 9.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.288 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.6 HD12 ' CG ' ' A' ' 8' ' ' HIS . 33.4 mt -70.87 -41.6 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.31 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -31.56 66.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 98' ' ' ILE . 62.2 mt -64.15 -31.09 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.2 mt -81.16 -42.72 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -66.23 -53.62 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -44.86 95.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -101.08 36.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.699 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -74.14 -40.62 62.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -72.81 -32.79 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 tp -74.48 -31.33 62.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 25' ' ' ILE . 19.0 mt -71.02 -31.26 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 18' ' ' ARG . 27.0 t -76.49 -29.6 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -30.38 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -90.16 -58.33 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.779 HD11 HD22 ' A' ' 21' ' ' LEU . 43.5 mt -61.18 115.4 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -40.3 7.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -96.03 129.68 43.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 32' ' ' VAL . 36.0 p -107.31 -30.11 8.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.007 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.38 -30.5 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -41.41 93.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.82 -44.65 18.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 28' ' ' THR . 28.1 t -63.77 -40.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.019 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.46 -55.93 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -59.65 -44.53 93.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD11 ' HD1' ' A' ' 77' ' ' PHE . 6.2 mt -59.91 -30.73 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.98 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.2 mt -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -66.47 -39.85 89.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -82.48 0.12 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.424 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.37 37.44 6.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -92.27 -34.23 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -108.38 123.52 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.2 m -77.42 167.13 22.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.52 72.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.44 -34.92 61.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.622 ' HA ' HD12 ' A' ' 48' ' ' ILE . 59.9 m-20 -68.4 -46.95 68.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -29.54 70.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.241 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.39 -38.04 86.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.7 mt -66.74 -42.59 89.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG11 ' CG1' ' A' ' 62' ' ' ILE . 22.0 t -65.09 -55.18 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -30.21 68.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.4 -23.31 56.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.334 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.5 m -55.2 144.24 51.26 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.77 -43.26 0.35 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.532 2.154 . . . . 0.0 112.381 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.1 p -109.28 173.21 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -73.01 -52.91 5.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 66.4 Cg_exo -50.88 -28.47 23.77 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.535 2.157 . . . . 0.0 112.325 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.28 -32.61 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -67.39 -41.0 85.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 62' ' ' ILE . 29.2 t -62.25 -42.43 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -66.31 -30.33 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.998 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 tppm? -73.35 -43.71 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.756 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.6 mt -62.09 -44.27 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.2 -40.16 95.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.44 -46.44 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 62' ' ' ILE . 33.8 t -60.63 -36.14 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -65.04 -32.96 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.4 m -78.95 -32.01 45.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.714 ' HD2' HG11 ' A' ' 73' ' ' VAL . 51.5 mttm -60.27 -70.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 160.47 -177.8 36.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.615 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.15 -28.88 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.734 0.302 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -47.29 84.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.714 HG11 ' HD2' ' A' ' 69' ' ' LYS . 19.7 t -78.48 -30.29 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.446 ' O ' HD12 ' A' ' 78' ' ' LEU . 8.2 t -61.96 -33.63 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -73.49 -46.94 45.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.545 ' CE2' HD11 ' A' ' 80' ' ' LEU . 71.4 t80 -61.21 -39.63 90.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.466 ' HD1' HD11 ' A' ' 35' ' ' LEU . 64.3 t80 -63.83 -38.85 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -75.95 -29.95 58.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -63.52 -44.49 94.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.545 HD11 ' CE2' ' A' ' 76' ' ' PHE . 11.6 mt -60.04 -33.33 71.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.657 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 80.9 mt -58.73 -28.94 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.526 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.91 -56.78 3.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.998 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -58.48 -30.67 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.47 -11.99 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -49.87 -27.12 4.73 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.786 0.327 . . . . 0.0 111.527 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.4 -29.01 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.12 54.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -85.89 -51.1 6.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 89' ' ' VAL . 15.9 t 65.62 15.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.273 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.42 -28.9 6.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 111.061 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.485 HD11 HG12 ' A' ' 25' ' ' ILE . 4.3 mt -96.41 26.19 4.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -82.55 -52.54 0.68 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.734 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 92' ' ' ARG . 53.0 Cg_exo -54.58 -29.97 63.09 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.492 2.128 . . . . 0.0 112.062 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.428 ' CZ3' HD21 ' A' ' 21' ' ' LEU . 23.1 t90 -71.32 -36.33 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.818 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.526 HD13 ' HG2' ' A' ' 82' ' ' GLN . 27.6 mt -66.83 -51.48 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.81 -31.37 70.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -66.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.579 HG21 HD22 ' A' ' 13' ' ' LEU . 39.4 pt -65.2 -30.86 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.52 63.74 1.99 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 78' ' ' LEU . 15.8 t80 -63.52 -38.0 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.0 p -115.26 98.27 6.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.6 p -93.55 177.59 5.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.09 145.29 15.93 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.91 162.87 39.94 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.568 2.179 . . . . 0.0 112.33 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -109.6 -38.23 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.49 135.73 38.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.517 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 t -92.23 95.07 9.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -116.17 125.34 52.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.6 -44.57 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -70.31 87.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -66.02 -42.7 89.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.72 -84.28 0.56 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.466 ' CG ' HD12 ' A' ' 11' ' ' ILE . 35.5 m80 -146.31 86.91 6.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -51.77 -25.76 21.79 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.605 2.203 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -82.72 -45.75 14.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.954 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.466 HD12 ' CG ' ' A' ' 8' ' ' HIS . 28.3 mt -73.09 -34.64 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -34.79 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 13' ' ' LEU . 12.4 mt -60.06 -41.13 91.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.69 ' HB3' HD22 ' A' ' 63' ' ' LEU . 46.7 mt -70.71 -47.06 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -63.22 -35.89 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -76.44 -46.99 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -97.54 38.76 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.812 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.7 ttm180 -74.16 -48.2 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -64.24 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 tp -80.24 -33.28 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.954 HD22 HD11 ' A' ' 25' ' ' ILE . 13.5 mt -68.16 -32.31 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 18' ' ' ARG . 21.3 t -67.35 -29.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 m -84.43 -50.65 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.048 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -62.3 -57.18 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.954 HD11 HD22 ' A' ' 21' ' ' LEU . 37.8 mt -62.33 133.31 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -121.31 -54.65 1.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -93.01 125.15 37.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.782 ' O ' HG23 ' A' ' 32' ' ' VAL . 81.6 p -102.03 -25.65 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -55.74 -35.67 66.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -50.01 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.78 -31.5 72.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 28' ' ' THR . 25.0 t -76.58 -39.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -79.91 -45.14 19.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.712 HD13 ' CE1' ' A' ' 41' ' ' PHE . 19.9 mt -59.96 -31.45 69.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.4 -42.49 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -32.85 73.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.442 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.1 m-80 -83.3 0.06 47.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.392 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.95 38.36 6.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 38' ' ' ASN . 11.1 m-85 -99.17 -60.2 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.712 ' CE1' HD13 ' A' ' 35' ' ' LEU . 2.8 m-85 -75.96 126.05 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -70.84 168.2 17.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.47 80.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -71.14 -38.01 72.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.607 ' OD1' HD22 ' A' ' 65' ' ' LEU . 59.4 m-20 -59.06 -45.18 91.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.14 -28.56 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.41 -31.48 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.956 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.423 HG22 ' CG ' ' A' ' 61' ' ' LYS . 44.6 mt -72.21 -36.09 54.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.4 t -71.13 -40.62 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.7 m -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.02 -24.72 40.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.393 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.5 m -56.57 146.98 52.75 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.94 -41.8 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.592 2.195 . . . . 0.0 112.381 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.1 p -118.39 -177.41 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -74.68 -53.13 3.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' 55' ' ' GLN . 75.3 Cg_exo -49.53 -35.89 38.32 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.59 2.194 . . . . 0.0 112.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.68 -34.19 77.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -61.34 -50.34 73.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 t -54.05 -30.63 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.68 -31.27 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CG ' HG22 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -78.1 -45.45 23.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 67.5 mt -55.16 -39.55 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.69 HD22 ' HB3' ' A' ' 14' ' ' LEU . 92.1 mt -65.52 -41.0 93.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.607 HD22 ' OD1' ' A' ' 45' ' ' ASP . 72.5 mt -62.25 -59.05 5.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.756 HG13 HG12 ' A' ' 73' ' ' VAL . 26.0 t -59.94 -40.08 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -60.06 -34.28 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -32.95 56.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.498 ' HD2' HG11 ' A' ' 73' ' ' VAL . 38.0 mttm -60.49 -75.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.49 -162.93 34.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.29 -28.71 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.74 -30.47 65.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.756 HG12 HG13 ' A' ' 66' ' ' VAL . 21.5 t -104.67 -32.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -63.54 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -77.25 -49.43 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.6 -43.22 93.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 35' ' ' LEU . 45.3 t80 -59.67 -52.21 66.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.815 ' HA ' HD12 ' A' ' 81' ' ' LEU . 6.6 mt -63.86 -33.5 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -62.53 -38.13 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 77' ' ' PHE . 6.8 mt -60.15 -35.13 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 78' ' ' LEU . 6.0 mt -61.15 -30.35 70.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.67 -48.55 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -50.19 63.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.64 -12.42 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.415 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 81' ' ' LEU . . . -52.68 -29.62 27.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 111.326 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.84 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -78.68 155.82 29.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.02 -37.4 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -72.48 -58.74 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.83 115.35 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.443 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 1.7 mmm-85 -177.28 -53.06 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.443 ' HD3' ' CB ' ' A' ' 92' ' ' ARG . 17.8 Cg_exo -66.29 -32.0 42.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 0.0 112.083 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.478 ' HZ3' HD13 ' A' ' 81' ' ' LEU . 25.8 t90 -59.27 -45.78 90.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -55.08 -49.5 71.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.5 -29.62 70.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.25 -52.25 20.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 29.3 pt -73.37 -37.68 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.46 77.17 1.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.15 35.44 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -138.97 165.87 25.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.9 t -164.76 130.74 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.4 170.08 35.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.548 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 129.42 17.55 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 p -171.2 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.16 178.23 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.519 -179.998 . . . . . . . . 0 0 . 1 stop_ save_