data_2ctm_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 2ctm _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 ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -102.3 147.77 26.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -51.47 -59.04 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.66 -37.64 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.25 -29.89 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.1 mtt -59.54 151.85 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -127.94 134.04 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.6 p -85.24 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -126.95 161.5 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.06 118.43 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 76' ' ' ILE . 2.4 t -110.24 122.17 39.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 101.64 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.41 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 tp -120.79 130.29 53.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.24 141.86 54.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -67.08 -14.0 62.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -78.55 -15.48 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -118.65 7.55 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -64.1 -69.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.95 -49.71 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -44.87 -37.98 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.9 mt -83.8 -45.91 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.2 mt -52.73 -38.14 26.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -154.0 21.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.12 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -108.4 23.95 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.52 32.37 34.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ARG . 27.4 tptt -90.04 -52.8 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.29 -31.67 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 tp -91.16 -18.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' LYS . 12.2 tpp180 -70.56 -40.56 73.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -67.15 -35.42 79.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.2 mt -67.95 -42.01 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.2 mtm -61.34 -54.97 36.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.09 -34.12 73.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -51.72 -55.5 19.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.85 4.43 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' MET . 36.3 mmtt 57.98 43.36 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.69 175.31 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.1 97.12 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.9 mt -80.18 126.46 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -117.68 101.48 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CD1' HG11 ' A' ' 63' ' ' VAL . 41.2 m-85 -70.39 150.25 95.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 126.84 13.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.466 ' N ' ' HB1' ' A' ' 57' ' ' ALA . 13.5 pt20 -73.99 167.78 20.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.9 m -47.93 -51.42 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 21.16 11.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' N ' ' A' ' 54' ' ' GLN . . . -74.38 147.69 85.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.579 0.705 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.2 27.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -133.77 89.81 29.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -0.58 7.12 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.07 10.88 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 t -128.24 140.43 51.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.555 HG11 ' CD1' ' A' ' 52' ' ' PHE . 12.4 m -121.4 133.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 m -91.44 113.01 25.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.0 t -105.03 131.5 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 157.64 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.71 166.96 11.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -46.57 153.52 0.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.48 36.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.54 -30.54 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -86.42 -41.72 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -54.22 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 14.9 pt-20 -45.04 -47.47 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 7.5 mm-40 -62.19 -43.08 99.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.64 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 21' ' ' VAL . 56.8 mt -53.63 -58.98 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -46.32 -36.15 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -74.31 -32.14 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.0 mt -68.1 -57.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -56.08 -32.8 64.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -71.06 -29.82 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -55.9 -57.25 12.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -57.42 -61.25 2.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -40.07 -53.04 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -61.97 -54.81 36.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.4 mt -45.26 -48.71 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -107.1 142.16 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 mp -48.72 -66.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -42.89 -46.03 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.05 -37.15 71.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.0 mtt -52.04 150.52 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -129.42 144.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -95.85 128.18 42.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -125.02 160.97 27.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.15 114.08 25.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 76' ' ' ILE . 2.3 t -110.34 121.18 42.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -118.35 123.29 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -59.76 127.17 30.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.593 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 3.7 t-160 -59.33 -24.65 63.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 mmp_? -62.72 -18.0 61.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.09 -15.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.4 m170 -40.06 -70.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.74 68.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -46.3 -33.35 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.6 mt -87.48 -46.17 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mt -47.78 -50.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.54 158.33 33.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.09 -55.89 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -96.75 21.63 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.08 30.59 64.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -88.01 -44.15 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.97 -35.25 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 tp -89.74 -23.0 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -64.69 -41.05 96.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.31 -34.7 78.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.44 -46.06 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.37 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.43 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -55.63 -57.39 12.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -99.72 12.11 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt 47.86 47.66 18.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.4 m -120.5 165.95 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.37 99.53 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.4 mt -82.89 110.43 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -104.0 106.27 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.46 154.06 85.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.09 9.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -73.81 174.33 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -51.89 -42.32 62.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 43.06 2.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.94 148.27 34.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.47 25.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.74 89.6 45.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -2.94 11.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -119.75 9.4 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.9 t -123.13 137.01 55.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.12 141.72 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.8 m -100.01 101.08 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.26 129.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -106.83 157.75 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.99 168.66 12.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.78 151.55 2.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.79 37.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -87.01 -27.45 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -90.25 -39.26 12.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.3 t -56.03 -53.96 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.82 -44.72 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -64.84 -42.62 94.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -55.03 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.419 ' CG2' HG11 ' A' ' 21' ' ' VAL . 83.9 mt -45.52 -57.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -44.26 -38.92 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -71.74 -37.91 70.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.69 -55.36 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.49 -44.39 76.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 53.3 mt -76.98 -40.51 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -41.13 -44.74 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.31 -69.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -42.52 -57.89 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 82' ' ' LEU . 5.4 m-85 -45.26 -54.75 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.93 -45.96 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.775 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.15 150.87 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.29 -66.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -47.85 -43.18 28.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -53.66 -31.67 48.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.56 154.03 18.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.78 144.37 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.8 p -95.81 133.5 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -133.71 140.48 47.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -94.95 115.92 28.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.436 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.1 t -108.83 121.69 42.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.37 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 tp -120.37 124.62 45.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -64.22 140.55 58.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -66.5 -12.0 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -74.01 -29.85 62.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.23 -16.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -43.12 -63.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.11 -53.68 55.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -42.37 -37.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.5 mt -83.2 -51.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.8 mt -43.14 -52.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 93.09 127.02 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -34.17 -58.2 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.93 -28.07 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.28 22.07 23.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -29.45 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.98 -28.55 62.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 tp -89.66 -20.16 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -73.01 -46.02 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -58.64 -35.58 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.75 -47.6 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 mtm -58.73 -44.78 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.55 -37.05 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -50.91 -55.9 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -96.46 0.57 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 63.42 36.18 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.08 173.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -126.93 93.45 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mt -80.55 135.87 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -128.38 114.76 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -78.87 151.25 76.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.672 0.749 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.27 2.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -59.14 176.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.7 p -53.86 -51.83 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.58 36.08 3.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.39 146.51 34.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -33.58 16.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.75 89.72 52.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.14 15.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.56 12.47 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -127.61 141.79 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.61 133.45 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.6 m -89.23 107.32 18.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -98.93 123.55 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -104.52 161.5 14.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.47 168.84 12.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -47.14 151.53 1.2 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -19.38 36.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -84.39 -30.84 25.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -85.94 -39.18 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.4 t -59.07 -51.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -46.37 -39.87 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.68 -50.1 22.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.33 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.436 ' CG2' HG13 ' A' ' 21' ' ' VAL . 48.9 mt -50.3 -52.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -53.47 -42.76 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -65.89 -30.16 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.94 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -53.83 -25.0 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.18 -47.58 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.77 -36.09 62.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.08 -40.57 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -71.54 -44.4 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.91 -49.06 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.36 -49.31 64.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.49 -36.05 61.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.11 137.9 45.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 mt -41.25 -53.44 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.81 -41.92 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -58.84 -33.09 70.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.0 mtt -58.98 154.3 15.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.7 m -124.14 139.14 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -97.06 109.59 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -105.72 162.69 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.83 113.99 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.0 t -105.54 122.05 44.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.07 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.628 2.219 . . . . 0.0 112.33 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -117.22 123.93 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.534 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 28.8 t0 -55.08 151.58 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.513 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 12.4 t-160 -78.45 -13.55 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -79.14 -28.15 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 m -101.46 -9.59 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 8.5 m170 -47.88 -71.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.68 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -53.39 -37.58 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.4 mt -86.08 -48.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -45.12 -50.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.83 175.37 26.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.36 -59.04 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -106.34 15.68 25.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.51 27.62 50.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -88.57 -48.04 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.19 -41.77 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 tp -77.59 -27.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.04 -53.99 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -30.23 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 91.2 mt -73.1 -40.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.1 mtm -66.42 -55.19 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.25 -35.7 74.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -50.8 -54.2 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -103.21 5.0 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' MET . 25.6 mmtm 57.44 45.59 19.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.5 m -119.26 156.35 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -109.37 100.06 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.5 mt -84.27 129.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -119.4 111.31 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.27 155.36 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 121.99 8.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -66.86 176.46 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.5 p -59.32 -29.21 67.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.92 26.53 17.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.5 147.47 63.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.02 26.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.2 89.6 51.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -1.95 9.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -122.03 12.53 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.9 t -127.59 144.44 51.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.8 m -123.92 146.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.7 m -103.32 101.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -93.46 124.11 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.03 155.26 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.66 165.81 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.82 153.08 0.85 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -17.73 37.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -86.04 -33.36 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -86.07 -46.55 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -49.49 -46.19 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -56.43 -42.45 78.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 5.9 mm-40 -65.86 -39.78 91.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.54 -53.99 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CG2' HG13 ' A' ' 21' ' ' VAL . 71.2 mt -44.54 -55.11 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -45.65 -44.66 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.57 -35.43 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.28 -55.2 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.83 -34.68 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.22 -44.64 79.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.1 mt -75.58 -29.27 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.6 -46.94 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -70.83 -55.58 8.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -42.72 -44.58 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -73.44 -52.44 13.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -46.4 -42.5 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.774 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.23 144.42 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.5 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.82 -16.66 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -85.53 -27.43 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.09 161.67 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.78 140.08 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -96.16 119.49 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.37 160.09 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -109.39 117.33 33.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -111.92 120.29 42.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 102.32 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -116.89 123.54 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -57.92 125.53 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -58.42 -16.21 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -75.22 -18.86 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 m -110.33 -19.72 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -37.28 -70.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.77 -46.64 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -48.55 -40.52 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.3 mt -80.26 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -42.98 -50.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 89.55 134.27 5.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -37.12 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -13.35 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.77 32.1 30.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -94.52 -31.71 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.4 tp -83.31 -22.12 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.72 -49.39 53.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 54.6 pttt -58.87 -43.24 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 81.6 mt -58.89 -44.1 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.6 mtm -63.26 -54.77 32.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -58.91 -38.27 78.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -49.17 -57.04 7.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -98.77 3.95 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 22.9 mmtp 58.6 42.46 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.26 164.92 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -115.65 96.94 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.55 118.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.58 114.1 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -82.3 153.96 69.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.44 3.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 8.1 pt20 -58.42 177.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -54.76 -55.33 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.18 21.49 10.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -67.29 146.87 98.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.69 20.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -131.05 89.74 41.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -1.51 8.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.94 10.32 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.95 139.18 52.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 m -115.9 130.5 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.8 m -90.11 103.0 15.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.2 t -94.13 132.02 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.51 159.07 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.78 164.92 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -47.61 152.85 1.15 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 -17.91 37.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.19 -30.92 30.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.27 -44.0 10.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.0 t -49.31 -48.34 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.53 -47.84 66.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.95 -43.5 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.49 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.3 mt -45.78 -57.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -42.8 -47.21 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -64.01 -39.22 93.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 98.6 mt -61.09 -58.08 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.2 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.22 -45.97 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.28 -32.85 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -56.56 -60.83 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -32.77 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.67 -39.49 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.98 -52.06 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.93 -33.62 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.847 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -96.43 143.38 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.32 -58.66 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.64 -35.72 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -66.92 -27.97 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtt -57.62 149.3 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.22 147.09 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m -107.56 117.95 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -114.52 161.06 18.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 121.95 45.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.58 120.12 36.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 104.15 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.384 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 tp -120.41 131.74 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.515 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 45.7 t0 -62.16 145.76 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -78.17 -16.25 58.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -76.9 -20.15 56.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.83 10.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 7.9 m170 -66.97 -69.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.05 -37.96 62.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -56.99 -43.49 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.77 -44.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.449 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.7 mt -52.19 -49.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.19 127.03 4.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.43 -58.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -74.81 -28.21 60.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.57 16.81 38.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.482 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 14.0 tptm -87.81 -40.45 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.35 -62.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.6 tp -53.88 -26.43 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 5.4 tpp180 -61.87 -32.29 72.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -61.23 -50.8 71.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.6 mt -68.21 -39.98 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.86 -45.07 95.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -36.58 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.75 -54.17 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -98.99 2.43 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm 57.91 40.06 26.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -112.02 163.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -117.93 101.91 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.7 mt -84.72 106.38 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -95.87 106.82 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CE2' HG12 ' A' ' 32' ' ' ILE . 59.2 m-85 -72.74 150.48 90.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.15 4.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -53.09 -177.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.6 m -65.32 -48.19 73.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.65 19.37 33.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.95 148.61 97.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.87 23.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.82 89.73 38.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -118.52 14.04 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t -128.08 138.69 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.82 147.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.1 m -101.22 99.8 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.5 t -90.16 120.17 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -98.7 157.61 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.82 169.97 12.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.73 156.1 5.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -11.99 32.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.51 -33.17 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -86.2 -40.11 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.72 -54.24 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -47.36 -46.4 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.69 79.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.6 mt -48.91 -58.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -42.66 -44.51 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -66.78 -44.68 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.74 -60.55 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -54.27 -38.54 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -55.56 -50.04 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.64 -34.21 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.01 -57.86 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.34 -37.41 85.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.19 -47.32 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -71.5 -47.15 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.4 mt -47.25 -43.15 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.736 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -104.81 149.92 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -50.96 -42.4 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -55.42 -39.96 70.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mtt -48.51 156.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.04 139.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 p -87.63 135.8 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -134.24 142.34 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.19 120.3 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.418 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.6 t -113.46 119.82 41.02 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.85 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 31' ' ' ILE . 13.8 tp -120.94 131.83 54.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -69.94 142.05 52.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -69.37 -13.26 62.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -75.26 -15.42 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.7 m -117.77 -13.81 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -42.22 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.72 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -53.15 -31.42 42.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.466 ' CD1' HD23 ' A' ' 23' ' ' LEU . 80.1 mt -90.39 -38.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.6 -38.53 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.25 -153.32 23.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.34 -73.51 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -91.81 15.36 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.23 34.12 27.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.02 -49.79 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.31 -29.17 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.0 tp -93.18 -21.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.92 -48.08 72.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -58.8 -37.22 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.91 -44.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 mtm -61.53 -55.43 31.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.15 -35.98 76.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -50.94 -53.09 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -103.06 12.01 36.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 50.25 49.49 20.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.57 176.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -131.25 100.61 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.8 mt -82.86 138.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 52' ' ' PHE . 2.0 tmm_? -123.8 120.44 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.433 ' N ' ' HD2' ' A' ' 51' ' ' ARG . 54.0 m-85 -90.59 149.68 41.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 126.51 13.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.276 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.428 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 20.9 pt20 -72.16 168.38 18.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.4 m -50.41 -51.2 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.08 5.64 53.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.428 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -65.38 147.05 98.86 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.91 2.95 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -115.61 89.23 22.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -0.04 6.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.63 13.1 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.94 138.49 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.95 152.36 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -109.61 108.04 18.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.2 t -98.61 124.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -99.51 158.35 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.1 166.11 12.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -42.64 153.42 0.32 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.98 30.09 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -29.66 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -82.52 -38.17 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.19 -47.82 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 6.4 pt-20 -52.75 -38.09 60.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 44.6 mt-10 -71.85 -39.05 69.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.11 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' CG2' HG13 ' A' ' 21' ' ' VAL . 39.5 mt -46.26 -54.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -42.94 -40.21 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.93 -44.99 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 66.4 mt -56.59 -52.82 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.57 -49.08 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.0 mt -70.52 -29.01 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -53.44 -44.34 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -73.2 -47.34 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -54.24 -58.95 5.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -56.13 -51.83 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.41 -41.94 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.757 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.43 147.66 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -49.15 -60.95 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -53.16 -46.51 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -50.44 -43.14 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.1 mtt -47.42 160.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.64 138.62 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 p -88.84 121.82 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -118.33 157.27 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -107.71 120.01 41.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.423 ' CG1' HG21 ' A' ' 76' ' ' ILE . 2.3 t -115.15 120.16 37.33 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.637 0.732 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 103.05 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 79' ' ' ILE . 20.9 tp -119.05 115.58 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -50.86 136.94 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.463 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 6.3 t60 -70.14 -16.46 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -73.89 -19.07 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' HIS . 7.4 m -113.44 -14.12 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.453 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 8.8 m170 -36.94 -59.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -56.75 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -38.97 -34.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.407 ' CD1' HD12 ' A' ' 23' ' ' LEU . 84.8 mt -87.68 -50.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.75 -42.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.74 -170.64 26.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.14 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.74 13.17 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.95 35.77 17.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -94.69 -49.16 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.78 -31.67 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 tp -88.11 -24.15 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -64.92 -43.44 92.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -61.78 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.28 -40.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.9 mtm -64.36 -56.04 17.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.54 -33.71 73.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.37 -55.99 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -105.11 7.98 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 67.1 mmtt 57.1 43.86 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.91 162.72 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -114.03 112.87 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.7 mt -94.63 109.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -101.51 109.3 21.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -78.15 154.63 79.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -76.83 -179.64 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 p -59.6 -35.59 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.75 34.58 5.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.49 35.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.074 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.4 25.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -130.82 90.73 39.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.61 8.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -118.92 11.14 12.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -125.47 143.09 51.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.46 145.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.5 m -101.6 106.83 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -99.98 123.0 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.7 m -99.09 157.64 16.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.5 165.9 11.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -47.98 153.4 1.18 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -17.22 37.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.33 -26.52 23.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -92.27 -41.41 10.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.25 -50.82 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.54 -45.85 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -62.53 -37.17 85.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.13 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.423 HG21 ' CG1' ' A' ' 21' ' ' VAL . 41.0 mt -53.85 -52.2 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.79 -33.62 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.33 -33.34 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 23' ' ' LEU . 64.3 mt -66.56 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.82 -30.09 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.29 -45.19 88.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.71 -35.31 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -50.41 -41.39 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 10.3 tt0 -75.28 -41.39 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.51 -38.43 84.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -75.09 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -51.16 -40.47 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.46 144.63 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.59 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -45.54 -43.56 12.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -56.18 -41.39 75.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.5 mtt -44.95 157.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.13 140.82 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 p -99.09 137.32 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.12 160.22 39.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 123.79 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -116.11 121.4 33.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 tp -120.87 119.4 32.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.93 143.63 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -71.94 -15.84 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -74.4 -8.12 55.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 m -124.25 -7.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -51.8 -57.42 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.71 90.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.33 -33.91 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 mt -88.19 -45.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.27 -40.03 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.23 -170.82 33.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.44 -67.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 tpp85 -100.56 20.38 15.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.82 46.69 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' ARG . 31.0 tttp -86.79 -57.07 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.78 -38.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.054 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.3 tp -81.5 -32.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.6 tpp85 -55.7 -55.28 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -50.86 -29.53 12.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -77.09 -45.99 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.2 mtm -57.25 -49.29 76.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -35.52 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -47.16 -57.76 4.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -102.38 3.64 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm 62.18 41.5 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 m -113.85 165.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.32 98.91 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.8 mt -78.44 131.02 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -119.44 111.31 17.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -81.29 155.13 72.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.43 6.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.409 ' N ' ' HB1' ' A' ' 57' ' ' ALA . 8.7 pt20 -60.89 174.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -38.7 74.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.88 26.66 23.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.409 ' HB1' ' N ' ' A' ' 54' ' ' GLN . . . -76.65 151.36 82.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.06 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.77 11.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -123.46 89.84 50.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.77 9.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.302 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -117.58 11.91 13.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 t -128.04 143.55 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.22 137.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 m -92.55 102.29 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 52.4 t -90.48 131.72 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -109.06 159.96 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.72 173.43 13.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.26 154.94 14.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -13.49 34.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -90.88 -29.62 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -88.73 -39.09 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.63 -52.5 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.3 pt-20 -49.07 -40.3 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.2 mt-10 -70.48 -37.9 74.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.21 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.6 mt -53.14 -55.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -46.37 -37.19 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -74.21 -42.03 60.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -59.81 -59.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.49 -31.92 69.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -56.64 -46.5 80.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 54.8 mt -70.36 -45.74 65.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' LEU . 13.9 tt0 -35.59 -48.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -52.55 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -45.76 -41.35 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -77.32 -46.31 23.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.1 mt -54.58 -30.63 54.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.807 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -89.81 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.18 -61.41 2.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -57.59 -19.1 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -78.24 -40.77 36.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.7 mtt -46.42 152.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.37 134.17 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -92.73 124.07 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -118.8 163.6 16.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -107.24 121.09 43.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.19 119.88 41.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.572 0.701 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 102.7 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.24 . . . . 0.0 112.335 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -120.55 119.2 32.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.15 142.27 56.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.405 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 49.9 p-80 -68.54 -11.97 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -74.68 -16.46 60.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' HIS . 34.8 m -119.06 -17.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . 5.9 m170 -34.9 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.33 -50.37 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -44.2 -40.2 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.46 -49.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.42 -50.92 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.01 150.27 23.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.462 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.7 -64.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -105.34 24.81 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.06 62.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -92.55 -34.2 14.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.2 -32.63 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tp -85.95 -33.43 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.62 -49.78 67.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.05 -45.89 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.6 mtm -60.0 -52.2 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.32 -33.54 73.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -53.8 -54.59 36.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -103.71 7.74 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' MET . 43.2 mmtm 54.22 37.21 26.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.7 m -109.09 172.99 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -121.93 106.14 10.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 54.4 mt -92.1 108.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -102.22 108.99 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -74.64 157.03 86.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.6 7.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.96 173.07 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.0 m -58.37 -13.55 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.89 20.72 9.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.61 148.31 61.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.546 0.689 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.66 89.77 45.64 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 1.27 4.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.394 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.56 9.6 8.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 t -127.8 142.51 51.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.6 m -114.27 155.4 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -110.2 100.27 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.56 128.79 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.38 160.03 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.99 168.66 12.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.443 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 1.6 mm? -47.76 151.76 1.48 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -17.04 37.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.65 -26.55 22.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -91.8 -38.41 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 77.9 t -56.01 -54.42 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -44.97 -47.44 11.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.58 -57.77 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.8 mt -44.11 -57.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -49.22 -43.72 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -69.91 -30.33 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.27 -58.33 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.34 -34.5 66.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.24 -48.66 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' GLU . 78.4 mt -64.27 -49.07 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -38.2 -54.62 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.13 -44.59 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.37 -57.37 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -54.83 -65.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' ALA . 12.5 mt -41.59 -49.52 4.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.62 140.72 33.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -42.53 -51.88 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -56.08 -43.27 77.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.97 -42.87 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.4 mtt -52.01 157.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -134.32 139.2 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -97.55 117.57 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -116.15 162.83 16.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.61 129.58 55.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 HG12 ' CG2' ' A' ' 76' ' ' ILE . 1.8 t -122.94 119.21 27.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -117.4 117.22 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 30.0 t0 -47.9 142.72 4.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 10.6 t-160 -75.39 -14.11 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -76.87 -18.5 58.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 m -113.4 6.26 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.9 m170 -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.46 99.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.562 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 71.0 mtt180 -53.87 -35.8 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.4 mt -85.22 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -42.79 -51.52 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.26 153.4 25.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.8 -62.04 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.14 23.11 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.34 23.39 78.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -80.73 -48.02 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -41.88 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.2 tp -80.56 -16.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -74.15 -43.33 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -64.52 -33.41 75.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 94.9 mt -69.82 -53.16 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.0 mtm -52.77 -45.06 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.23 88.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.54 -60.77 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.32 4.27 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm 54.96 48.68 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.2 m -117.95 171.26 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.64 104.65 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.3 mt -85.67 144.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -132.45 116.76 17.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.45 ' N ' ' HD3' ' A' ' 51' ' ' ARG . 85.1 m-85 -88.88 151.12 46.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 123.6 10.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -72.76 178.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 m -64.11 -16.52 61.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.78 8.09 31.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.89 147.9 78.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.53 6.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.21 89.9 10.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.99 11.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -121.74 12.61 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 t -123.76 139.1 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.2 m -120.08 150.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.7 m -107.46 110.47 22.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.3 t -99.35 122.29 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.1 166.42 12.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.72 151.59 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -21.51 33.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.76 -30.56 22.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.44 -38.73 19.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.28 -54.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -42.88 -42.41 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.02 -50.28 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.16 -58.09 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.4 ' CG2' HG12 ' A' ' 21' ' ' VAL . 61.4 mt -41.09 -52.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.68 -41.48 43.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.39 -36.51 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.81 -63.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.85 -36.69 49.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.98 -46.21 64.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.95 -38.77 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -42.96 -60.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.23 -49.9 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -48.24 -56.35 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 39.1 m-85 -61.4 -47.59 85.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 68.2 mt -52.55 -33.89 47.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.793 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.7 156.39 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -58.29 9.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.43 -37.74 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -56.99 -41.15 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 58.5 mtt -50.83 154.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 m -131.77 141.59 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p -96.97 121.3 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.12 159.59 24.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -108.75 111.47 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.413 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.6 t -107.46 119.1 51.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.83 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.596 2.198 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 tp -115.51 123.04 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 41.2 t0 -56.19 141.59 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 7.1 p80 -72.47 -12.26 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -79.45 -27.96 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.6 m -102.19 2.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.43 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.99 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -31.76 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.3 mt -91.97 -48.98 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.2 -50.18 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.15 131.42 5.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -36.54 -57.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -75.29 -29.72 60.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.45 8.85 52.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' ARG . 25.9 tttp -81.97 -38.0 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.24 -54.06 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.0 tp -62.56 -28.94 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' LYS . 9.0 tpt85 -63.91 -34.26 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -60.06 -47.08 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.71 -47.05 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -53.32 -32.25 48.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -82.97 -39.47 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.8 -52.75 55.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.08 11.39 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm 46.39 47.61 13.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.9 m -116.12 167.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -121.36 105.62 10.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.2 mt -91.66 116.13 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.47 111.01 23.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -80.66 151.83 71.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.57 9.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 57' ' ' ALA . 11.4 pt20 -62.15 168.62 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -47.98 -56.54 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.84 24.69 7.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB3' ' N ' ' A' ' 54' ' ' GLN . . . -69.69 151.04 96.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.073 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.74 24.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.89 89.89 23.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.16 8.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -118.75 12.81 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -128.28 136.99 51.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.9 m -119.66 147.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -102.19 105.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -95.19 118.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.179 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -102.57 149.73 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 166.59 11.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -40.39 148.14 0.35 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.93 35.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.81 -27.43 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -89.6 -36.52 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.91 -54.87 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -47.32 -43.87 23.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.56 -52.73 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 -46.5 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.413 ' CG2' HG13 ' A' ' 21' ' ' VAL . 75.9 mt -52.08 -55.85 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -42.65 -41.65 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -68.49 -44.51 74.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.74 -60.56 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.62 -38.47 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -52.41 -47.27 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.6 mt -70.14 -49.03 54.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -40.58 -39.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -72.05 -45.95 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -57.57 -52.65 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -58.64 -54.93 41.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.5 mt -50.05 -50.05 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.819 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -96.34 146.62 24.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.42 -54.98 24.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -57.84 -39.46 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -58.31 -41.15 83.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.7 mtt -51.12 153.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.13 142.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -99.54 120.71 40.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.54 156.03 26.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -105.93 116.74 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 76' ' ' ILE . 2.2 t -110.62 119.34 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 101.27 0.88 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 tp -120.31 132.47 55.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.555 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 27.2 t0 -69.83 150.11 47.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 8.9 t-160 -74.55 -13.29 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -72.58 -38.55 67.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.448 ' CG1' ' HG ' ' A' ' 87' ' ' LEU . 19.2 m -94.35 -6.06 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 7.0 m170 -50.04 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -45.47 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -48.48 -31.92 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.1 mt -90.68 -51.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -44.42 -51.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.28 129.13 4.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.45 -61.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.082 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -74.97 -26.33 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.66 15.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -89.32 -38.39 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.91 -33.36 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.456 ' CD1' HD12 ' A' ' 50' ' ' ILE . 5.0 tp -82.25 -30.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.19 -56.37 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -43.81 42.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.14 -50.76 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' LYS . 28.1 mtm -53.59 -56.37 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -58.26 -46.9 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -39.38 -46.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 75' ' ' ALA . 26.6 m-85 -109.64 -0.49 18.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' MET . 35.2 mmtm 61.1 44.29 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.78 175.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -123.7 99.42 6.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' A' ' 39' ' ' ILE . 79.3 mt -83.31 133.3 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -124.81 121.7 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -92.37 153.22 42.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 115.01 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.48 -177.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -57.65 -39.42 76.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 46.61 1.61 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.99 145.66 31.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -34.84 13.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.84 91.13 50.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.57 8.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -118.99 13.86 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -126.84 146.03 50.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.8 m -125.59 148.24 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -108.34 113.51 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.21 128.16 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.38 155.11 19.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.05 164.11 11.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -42.5 150.53 0.41 Allowed Pre-proline 0 C--N 1.328 -0.37 0 CA-C-O 121.549 0.69 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.09 32.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.217 . . . . 0.0 112.331 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -90.92 -29.64 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -86.81 -40.13 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.85 -55.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.8 pt-20 -43.91 -47.15 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 39.3 mm-40 -65.83 -40.27 91.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -60.61 -45.31 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.421 ' CG2' HG11 ' A' ' 21' ' ' VAL . 90.0 mt -53.2 -58.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -44.58 -39.3 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.442 ' CD2' HD12 ' A' ' 82' ' ' LEU . 6.3 t60 -69.57 -41.66 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.07 -55.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.3 -35.57 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 3.1 t30 -53.41 -46.33 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' CD2' ' A' ' 78' ' ' HIS . 35.3 mt -74.45 -33.87 63.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -49.94 -45.62 51.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -57.26 -41.95 80.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.08 -46.65 20.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.448 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 55.2 mt -57.67 -36.03 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.797 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -100.64 146.28 27.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.403 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.69 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -46.22 -39.8 10.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.4 mtt -41.3 146.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.35 139.59 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 p -95.11 116.1 28.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -114.48 158.32 21.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.71 132.48 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.433 ' CG1' HG21 ' A' ' 76' ' ' ILE . 2.9 t -122.92 123.67 26.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 79' ' ' ILE . 14.6 tp -120.64 125.93 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -69.85 138.41 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.454 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 7.4 t-160 -63.04 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 -67.74 -16.94 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.5 m -115.6 -16.8 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.454 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 10.9 m170 -41.07 -67.92 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.21 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 2.2 mpt_? -48.51 -31.04 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -92.17 -52.02 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mt -43.07 -52.4 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 95.03 125.14 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -33.96 -56.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 1.3 mpp_? -80.34 -25.57 39.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.22 22.56 22.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -90.64 -32.28 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.5 68.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 tp -83.55 -23.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -68.15 -48.7 64.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -58.8 -44.72 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.89 -41.13 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtm -65.65 -55.26 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -59.78 -37.28 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -48.75 -55.16 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -100.93 4.52 42.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm 59.46 43.11 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.43 166.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.0 102.03 8.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.6 mt -84.41 127.25 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -113.2 116.33 29.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -87.33 150.79 49.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -67.46 -176.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -53.58 -52.87 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.95 40.57 3.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.9 144.04 27.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.42 23.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -131.98 93.28 27.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -1.02 7.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.89 12.06 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.46 142.51 51.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.433 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 33.6 m -119.72 154.46 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.1 m -113.09 102.95 10.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.4 t -90.27 122.79 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.85 150.64 21.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.19 170.6 12.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 2.9 mm? -53.88 155.15 6.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.14 36.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.9 -30.12 18.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -87.8 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' GLU . 71.8 t -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' VAL . 18.0 pt-20 -37.33 -44.82 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.93 -50.79 63.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.49 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.433 HG21 ' CG1' ' A' ' 21' ' ' VAL . 76.1 mt -51.41 -50.59 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -50.13 -40.89 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.74 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.468 ' CG2' HD13 ' A' ' 23' ' ' LEU . 92.1 mt -66.6 -57.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.28 -34.72 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -54.25 -45.23 72.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.07 -30.3 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -51.63 -53.34 39.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -66.99 -45.1 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -51.35 -38.72 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 30' ' ' ARG . 20.5 m-85 -77.64 -47.72 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.03 -42.32 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 13.2 mt-10 -103.23 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.49 -60.06 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.24 -23.2 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 26.5 mt-30 -74.61 -30.47 61.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.0 mtt -51.83 155.64 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.38 134.74 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 p -88.91 125.98 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -126.12 160.61 29.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.85 127.12 55.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' CG1' HG21 ' A' ' 76' ' ' ILE . 2.2 t -118.2 122.66 30.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 100.87 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 31' ' ' ILE . 11.0 tp -117.15 124.28 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -62.29 129.23 39.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 32.6 p-80 -58.8 -13.49 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -78.4 -10.14 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.7 m -117.6 -13.74 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.458 ' CD2' ' CD2' ' A' ' 23' ' ' LEU . 15.8 m170 -47.55 -67.89 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.44 -53.63 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -31.56 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 23' ' ' LEU . 59.1 mt -86.98 -37.55 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.5 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.1 -144.33 17.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.07 -65.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.457 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 43.1 ttt-85 -105.32 16.05 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.63 36.25 17.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' CD ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -92.5 -51.68 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.855 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.78 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 tp -85.69 -29.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -62.12 -55.88 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -45.82 -36.97 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.27 -35.45 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.4 mtm -67.2 -54.05 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.21 -25.66 67.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.535 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 46.2 tt0 -54.46 -49.69 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.535 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -114.07 6.76 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.83 43.35 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.99 157.77 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -111.43 112.21 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.1 mt -94.88 130.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -124.46 112.26 16.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -79.48 153.56 76.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.19 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 15.4 pt20 -70.92 174.35 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.5 p -61.16 -15.76 37.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.45 1.47 30.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -67.14 147.89 98.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.594 0.712 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.9 3.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -111.05 90.34 11.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.73 3.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.282 . . . . 0.0 112.32 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.25 12.16 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.97 145.51 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 m -124.45 142.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -95.64 108.32 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.2 t -101.39 123.96 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -101.7 161.95 13.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.8 163.86 11.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -46.08 155.0 0.55 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -15.86 37.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.91 -29.16 16.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.06 -38.53 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.17 -48.27 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -52.95 -44.04 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -46.82 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.405 HG21 ' CG1' ' A' ' 21' ' ' VAL . 31.4 mt -54.44 -56.32 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.46 -39.16 6.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -72.83 -38.48 67.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.19 -58.59 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.38 -32.28 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -56.06 -45.12 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 76.0 mt -76.01 -27.04 57.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -61.19 -45.03 96.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -46.54 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.33 -38.55 80.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 13.6 m-85 -69.53 -59.28 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.25 -44.53 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.841 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -95.71 150.52 20.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mp -54.06 -50.5 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -63.98 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.92 -42.13 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 mtt -49.04 159.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.44 131.6 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -85.78 124.54 32.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.32 159.13 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -109.18 136.41 48.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 76' ' ' ILE . 2.2 t -127.15 119.25 22.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.05 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -119.79 124.56 46.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -57.24 125.42 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.496 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 56.7 p-80 -61.12 -16.25 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.77 -18.09 64.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.44 ' CG1' ' HG ' ' A' ' 87' ' ' LEU . 20.0 m -117.79 -9.37 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.6 m170 -45.01 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.47 -52.97 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 17.8 mmm180 -41.89 -44.89 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.6 mt -74.55 -53.07 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 52' ' ' PHE . 60.1 mt -41.88 -52.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.25 131.4 5.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.05 -60.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -73.34 -23.57 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.47 24.05 32.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -92.96 -30.17 15.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.51 -34.1 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.9 tp -86.24 -23.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -67.83 -49.33 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.55 -48.88 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.0 mtm -55.4 -48.23 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -66.99 -35.05 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.63 -58.68 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -97.1 8.6 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 53.58 42.59 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 m -113.72 175.74 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -126.15 97.57 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.0 mt -82.53 131.44 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -123.84 121.67 36.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.452 ' CD1' HG12 ' A' ' 63' ' ' VAL . 42.8 m-85 -88.41 154.73 51.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 116.72 4.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.622 2.215 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -74.43 179.21 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -17.1 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.9 18.18 29.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.68 143.58 33.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -37.48 8.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -115.05 92.35 30.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.546 0.688 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 13.98 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.07 145.51 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.452 HG12 ' CD1' ' A' ' 52' ' ' PHE . 18.7 m -120.52 156.56 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -115.54 108.57 16.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.77 139.05 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -115.56 146.94 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.89 175.08 13.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.33 153.88 12.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.94 33.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.5 -31.47 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -89.46 -43.11 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.69 -49.85 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -52.21 -41.51 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.82 -49.32 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.07 -53.85 37.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.42 ' CG2' HG11 ' A' ' 21' ' ' VAL . 96.4 mt -43.11 -55.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -48.83 -35.65 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -73.01 -38.61 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.9 mt -64.45 -60.88 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.79 -35.82 64.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -54.22 -46.0 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.6 mt -70.91 -40.27 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -40.12 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.74 -42.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -59.73 -57.65 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 32.6 m-85 -53.22 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 13.2 mt -47.58 -36.36 10.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.791 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 3.3 mm-40 -105.38 143.8 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.9 -64.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.84 -19.56 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.459 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 19.8 mt-30 -80.78 -24.2 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.54 154.92 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.28 136.05 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 m -91.83 140.13 29.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.98 154.84 47.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.28 118.53 36.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.96 120.51 37.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.25 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 31' ' ' ILE . 16.7 tp -120.83 109.23 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 20.6 t0 -47.54 153.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -77.51 -26.65 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -68.52 -4.69 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.51 -6.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.7 m170 -52.48 -68.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.88 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -52.41 -32.67 40.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.423 ' CD1' HD13 ' A' ' 23' ' ' LEU . 84.6 mt -90.16 -51.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.5 mt -44.97 -46.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.64 167.49 26.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 -53.24 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 7.87 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.53 32.16 8.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' ARG . 41.6 tttt -94.3 -53.44 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 31' ' ' ILE . . . -39.39 -33.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.413 HD13 ' CD1' ' A' ' 50' ' ' ILE . 3.2 tp -89.81 -30.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.8 tpt85 -56.31 -37.06 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 17.3 ptpt -71.46 -38.33 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -66.3 -44.77 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' LYS . 13.2 mtm -57.2 -56.45 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.13 -32.5 73.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 36.0 tt0 -46.35 -52.77 12.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -116.11 7.34 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' MET . 0.2 OUTLIER 62.61 40.93 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.899 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.45 154.49 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.41 100.92 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.413 ' CD1' HD13 ' A' ' 39' ' ' ILE . 35.7 mt -80.2 117.91 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.62 110.86 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.463 ' CE2' HG12 ' A' ' 32' ' ' ILE . 75.2 m-85 -80.0 152.97 74.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.71 11.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.64 -178.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -66.75 -22.39 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.87 21.79 11.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.01 153.2 92.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.581 0.705 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.81 29.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.24 89.74 27.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.61 4.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -123.29 8.55 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 t -124.09 144.44 49.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -121.43 148.19 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.7 m -104.06 100.51 10.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.5 t -90.07 118.6 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -94.02 156.92 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.23 167.24 12.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -50.55 154.84 2.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.65 37.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.24 -26.13 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -91.38 -45.23 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.8 t -52.71 -56.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -43.42 -48.7 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.9 81.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.6 mt -51.73 -57.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -45.83 -38.11 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -72.32 -40.78 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.72 -58.17 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.15 -31.88 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 1.7 t30 -57.62 -46.95 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.49 -28.95 59.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -55.1 -43.96 74.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.43 -47.15 71.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.43 -50.99 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -60.75 -53.37 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -52.03 -42.35 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.804 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -99.58 153.67 18.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.03 -47.94 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.64 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.02 -16.14 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.7 mtt -68.82 156.11 38.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.61 152.02 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 p -103.28 122.17 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.49 164.3 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.59 125.74 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.57 124.28 28.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 100.32 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 79' ' ' ILE . 21.1 tp -120.8 123.44 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.514 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 29.8 t0 -55.18 137.18 47.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 14.9 p80 -75.82 -17.29 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -71.45 -18.69 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.55 12.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.3 m170 -66.78 -61.03 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.79 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.16 -46.08 68.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.6 mt -75.93 -37.98 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.9 mt -49.86 -53.15 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.1 153.35 24.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.48 -66.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -103.16 24.88 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.64 38.66 61.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.8 mmmt -90.87 -55.21 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.54 -32.65 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.5 tp -89.02 -21.66 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LYS . 13.1 tpp85 -66.03 -45.85 79.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -59.79 -38.11 80.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.92 -43.06 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LYS . 22.2 mtm -64.29 -54.16 37.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.12 -52.78 63.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -105.8 3.91 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' MET . 28.6 mmtt 61.17 53.03 3.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.38 162.72 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -114.82 101.18 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.1 mt -83.32 144.62 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -131.33 120.63 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -88.92 158.1 47.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.09 4.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' SER . 51.8 mm-40 -70.91 164.4 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' GLN . 7.4 t -38.01 -58.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.49 44.63 3.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.65 144.35 27.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.592 0.71 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -43.68 2.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -115.6 91.0 27.96 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.69 10.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.66 14.21 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.18 139.98 52.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.9 m -120.38 126.02 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -84.65 107.18 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -95.99 135.07 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -110.85 153.78 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.97 167.7 12.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -44.77 150.85 0.66 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.21 34.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.94 -27.51 24.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -87.67 -46.76 9.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.2 t -47.49 -54.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -46.22 -47.41 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -60.05 -42.31 94.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.53 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.9 mt -46.99 -56.84 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -46.99 -36.45 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -74.22 -32.56 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 23' ' ' LEU . 71.8 mt -70.11 -59.64 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.58 -29.95 62.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.16 -52.57 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLU . 88.8 mt -61.85 -48.15 81.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -35.03 -52.31 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.17 -43.9 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' LEU . 9.4 mt-10 -59.49 -36.63 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.84 -54.18 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.0 mt -57.18 -34.28 68.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.796 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -100.79 155.76 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.18 -63.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -45.96 -39.02 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.45 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.2 mtt -52.21 151.14 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.24 137.54 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 p -90.11 118.18 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -116.69 156.8 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.67 119.74 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.448 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.1 t -112.18 119.02 44.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.616 0.722 . . . . 0.0 111.18 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 101.82 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 tp -119.28 128.62 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -66.73 137.03 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -63.18 -11.83 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt-85 -78.03 -5.87 52.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 28' ' ' HIS . 32.6 m -123.47 -24.56 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 27' ' ' VAL . 12.4 m170 -34.43 -65.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.22 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HB3' ' CG ' ' A' ' 86' ' ' TYR . 32.7 mmt180 -47.92 -28.57 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -93.68 -49.51 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.5 -48.9 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.31 -149.96 19.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.6 -64.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.44 21.26 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.47 22.32 67.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -84.64 -30.79 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.72 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 tp -75.89 -36.37 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.68 -28.92 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -61.41 -54.58 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -61.07 -41.52 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.2 mtm -57.15 -42.19 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.27 -29.46 42.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.42 -52.09 55.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -114.15 6.57 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.45 44.75 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.4 163.63 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.46 109.7 17.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.3 mt -89.91 117.79 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 112.2 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -82.58 150.2 62.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 127.69 14.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -83.04 163.56 20.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -46.34 -26.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.56 32.61 7.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.97 149.34 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -31.75 20.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.371 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.45 90.29 51.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -4.8 14.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -118.87 14.22 13.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.41 140.22 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 m -118.29 141.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.6 m -100.66 106.33 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -95.19 137.23 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -114.31 145.86 41.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . 140.64 161.61 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLY . 3.8 mm? -37.67 152.57 0.13 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.702 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.41 31.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -88.24 -26.37 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.51 -34.52 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.03 -49.74 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -50.28 -39.37 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -71.74 -38.87 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.4 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.448 ' CG2' HG13 ' A' ' 21' ' ' VAL . 85.2 mt -50.02 -55.35 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -48.75 -38.77 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 78' ' ' HIS . 4.8 t60 -69.76 -35.54 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.57 -52.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.67 -30.71 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -59.65 -45.54 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.3 mt -78.42 -30.14 47.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -51.41 -44.4 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -73.85 -49.54 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.9 -39.39 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.429 ' CG ' ' HB3' ' A' ' 30' ' ' ARG . 17.5 m-85 -74.23 -48.37 29.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.09 -37.78 35.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.822 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.92 156.15 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.74 -57.18 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.22 -40.62 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.21 -36.56 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.1 mtt -52.53 152.36 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -130.37 141.91 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 p -96.57 118.58 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -115.32 141.78 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.28 110.49 22.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.9 t -100.86 119.66 57.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 98.98 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -121.04 124.41 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 39.7 t0 -62.32 143.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.557 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 12.4 t60 -73.04 -10.96 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -77.29 -13.45 59.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.53 -9.35 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 20.3 m170 -50.75 -71.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -40.39 58.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -54.26 -44.36 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.1 mt -75.86 -37.6 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 52' ' ' PHE . 84.6 mt -69.02 -28.13 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.97 -115.27 2.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.54 -174.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -51.9 -16.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 158.22 33.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' ARG . 39.6 ttmt -94.83 -58.63 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.58 -32.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 tp -88.92 -26.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LYS . 3.0 tpm_? -63.97 -50.21 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 28.3 pttt -53.03 -39.3 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -65.63 -40.51 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.2 mtm -60.87 -58.12 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.81 -35.62 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -49.61 -55.57 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.35 10.11 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 54.99 38.11 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.51 -178.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -132.45 102.05 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 mt -93.8 110.65 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -107.14 110.34 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 32' ' ' ILE . 51.6 m-85 -74.7 149.56 85.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.666 0.746 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.86 9.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.281 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.93 -178.16 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.2 p -53.44 -47.78 69.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.03 44.01 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 146.29 32.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.569 0.7 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -31.52 20.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.748 2.299 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.18 92.78 38.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -2.83 10.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -121.36 12.73 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.2 t -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 35.3 m -114.61 155.82 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -109.9 108.94 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.37 121.15 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -99.53 158.25 15.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.22 170.87 12.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.7 mm? -55.03 155.01 9.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.15 37.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.62 -27.26 23.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.71 -38.07 12.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.0 t -61.31 -55.77 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -39.6 -46.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.75 -46.68 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.29 73.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.434 ' CG2' HG13 ' A' ' 21' ' ' VAL . 12.8 mt -51.43 -49.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -53.72 -47.57 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -59.87 -38.23 81.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.03 -58.48 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.8 -32.64 69.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -57.13 -50.52 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.2 mt -66.15 -47.39 74.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -39.46 -53.21 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.69 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.3 -43.79 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -75.76 -44.08 43.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.9 mt -50.6 -48.18 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -102.43 141.83 34.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -58.5 108.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.06 -154.57 52.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -39.18 135.63 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -101.58 -49.03 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.47 177.34 22.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -74.26 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -155.54 175.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 65.3 t -102.0 -34.65 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.51 -171.68 29.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -102.3 147.77 26.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -51.47 -59.04 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.66 -37.64 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.25 -29.89 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.1 mtt -59.54 151.85 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -127.94 134.04 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.6 p -85.24 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -126.95 161.5 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.06 118.43 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 76' ' ' ILE . 2.4 t -110.24 122.17 39.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 101.64 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.41 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 tp -120.79 130.29 53.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.24 141.86 54.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -67.08 -14.0 62.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -78.55 -15.48 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -118.65 7.55 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -64.1 -69.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.95 -49.71 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -44.87 -37.98 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.9 mt -83.8 -45.91 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.2 mt -52.73 -38.14 26.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -154.0 21.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.12 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -108.4 23.95 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.52 32.37 34.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 40' ' ' ARG . 27.4 tptt -90.04 -52.8 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.29 -31.67 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 tp -91.16 -18.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' LYS . 12.2 tpp180 -70.56 -40.56 73.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -67.15 -35.42 79.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.2 mt -67.95 -42.01 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.2 mtm -61.34 -54.97 36.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.09 -34.12 73.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -51.72 -55.5 19.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.85 4.43 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' MET . 36.3 mmtt 57.98 43.36 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.69 175.31 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.1 97.12 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.9 mt -80.18 126.46 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -117.68 101.48 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CD1' HG11 ' A' ' 63' ' ' VAL . 41.2 m-85 -70.39 150.25 95.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 126.84 13.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.466 ' N ' ' HB1' ' A' ' 57' ' ' ALA . 13.5 pt20 -73.99 167.78 20.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.9 m -47.93 -51.42 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 21.16 11.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' N ' ' A' ' 54' ' ' GLN . . . -74.38 147.69 85.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.579 0.705 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.2 27.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -133.77 89.81 29.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -0.58 7.12 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.07 10.88 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 t -128.24 140.43 51.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.555 HG11 ' CD1' ' A' ' 52' ' ' PHE . 12.4 m -121.4 133.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 m -91.44 113.01 25.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.0 t -105.03 131.5 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 157.64 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.71 166.96 11.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -46.57 153.52 0.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.48 36.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.54 -30.54 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -86.42 -41.72 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -54.22 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 14.9 pt-20 -45.04 -47.47 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 7.5 mm-40 -62.19 -43.08 99.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.64 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 21' ' ' VAL . 56.8 mt -53.63 -58.98 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -46.32 -36.15 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -74.31 -32.14 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.0 mt -68.1 -57.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -56.08 -32.8 64.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -71.06 -29.82 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -55.9 -57.25 12.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -57.42 -61.25 2.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -40.07 -53.04 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -61.97 -54.81 36.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.4 mt -45.26 -48.71 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . -37.17 -34.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -104.05 67.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.0 p -131.4 93.73 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -112.44 146.86 18.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 97.21 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.373 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 97.1 p -59.88 159.64 8.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.7 t -55.92 -49.03 74.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -88.27 117.37 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 m -110.38 170.95 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.67 -162.89 11.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.548 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -127.15 98.74 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -128.18 151.85 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -166.13 83.7 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -34.78 144.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.909 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.98 -176.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.2 t -104.33 -40.35 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.29 -164.66 42.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -107.1 142.16 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 mp -48.72 -66.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -42.89 -46.03 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.05 -37.15 71.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.0 mtt -52.04 150.52 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -129.42 144.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -95.85 128.18 42.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -125.02 160.97 27.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.15 114.08 25.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG11 ' CG2' ' A' ' 76' ' ' ILE . 2.3 t -110.34 121.18 42.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -118.35 123.29 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -59.76 127.17 30.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.593 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 3.7 t-160 -59.33 -24.65 63.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 mmp_? -62.72 -18.0 61.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.09 -15.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.4 m170 -40.06 -70.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.74 68.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -46.3 -33.35 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.6 mt -87.48 -46.17 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mt -47.78 -50.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.54 158.33 33.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.09 -55.89 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -96.75 21.63 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.08 30.59 64.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -88.01 -44.15 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.97 -35.25 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 tp -89.74 -23.0 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -64.69 -41.05 96.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.31 -34.7 78.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.44 -46.06 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.37 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.43 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -55.63 -57.39 12.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -99.72 12.11 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt 47.86 47.66 18.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.4 m -120.5 165.95 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.37 99.53 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.4 mt -82.89 110.43 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -104.0 106.27 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.46 154.06 85.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.09 9.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -73.81 174.33 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -51.89 -42.32 62.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 43.06 2.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.94 148.27 34.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.47 25.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.74 89.6 45.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -2.94 11.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -119.75 9.4 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.9 t -123.13 137.01 55.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.12 141.72 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.8 m -100.01 101.08 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.26 129.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -106.83 157.75 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.99 168.66 12.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.78 151.55 2.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.79 37.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -87.01 -27.45 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -90.25 -39.26 12.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.3 t -56.03 -53.96 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.82 -44.72 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -64.84 -42.62 94.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -55.03 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.419 ' CG2' HG11 ' A' ' 21' ' ' VAL . 83.9 mt -45.52 -57.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -44.26 -38.92 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -71.74 -37.91 70.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.69 -55.36 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.49 -44.39 76.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 53.3 mt -76.98 -40.51 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -41.13 -44.74 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.31 -69.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -42.52 -57.89 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 82' ' ' LEU . 5.4 m-85 -45.26 -54.75 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 90' ' ' SER . 14.9 mt -52.93 -45.96 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.05 -32.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.93 39.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 87' ' ' LEU . 68.0 m -38.15 -41.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.57 -159.61 8.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 118.31 5.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m -51.53 153.14 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.3 t -115.52 -46.09 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -111.85 -48.87 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.927 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 p -69.75 112.67 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.33 104.45 2.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -40.49 120.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.821 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -148.66 144.18 26.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.34 92.16 0.45 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mmt-85 -89.27 178.3 6.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -157.56 179.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -102.04 -39.17 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.92 -179.09 33.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.15 150.87 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.29 -66.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -47.85 -43.18 28.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -53.66 -31.67 48.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.56 154.03 18.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.78 144.37 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.8 p -95.81 133.5 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -133.71 140.48 47.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -94.95 115.92 28.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.436 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.1 t -108.83 121.69 42.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.37 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 tp -120.37 124.62 45.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -64.22 140.55 58.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -66.5 -12.0 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -74.01 -29.85 62.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.23 -16.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -43.12 -63.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.11 -53.68 55.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -42.37 -37.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.5 mt -83.2 -51.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.8 mt -43.14 -52.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 93.09 127.02 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -34.17 -58.2 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.93 -28.07 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.28 22.07 23.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -29.45 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.98 -28.55 62.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 tp -89.66 -20.16 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -73.01 -46.02 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -58.64 -35.58 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.75 -47.6 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 mtm -58.73 -44.78 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.55 -37.05 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -50.91 -55.9 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -96.46 0.57 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 63.42 36.18 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.08 173.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -126.93 93.45 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mt -80.55 135.87 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -128.38 114.76 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -78.87 151.25 76.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.672 0.749 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.27 2.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -59.14 176.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.7 p -53.86 -51.83 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.58 36.08 3.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.39 146.51 34.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -33.58 16.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.75 89.72 52.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.14 15.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.56 12.47 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -127.61 141.79 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.61 133.45 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.6 m -89.23 107.32 18.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -98.93 123.55 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -104.52 161.5 14.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.47 168.84 12.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -47.14 151.53 1.2 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -19.38 36.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -84.39 -30.84 25.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -85.94 -39.18 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.4 t -59.07 -51.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -46.37 -39.87 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.68 -50.1 22.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.33 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.436 ' CG2' HG13 ' A' ' 21' ' ' VAL . 48.9 mt -50.3 -52.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -53.47 -42.76 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -65.89 -30.16 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.94 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -53.83 -25.0 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.18 -47.58 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.77 -36.09 62.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.08 -40.57 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -71.54 -44.4 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.91 -49.06 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.36 -49.31 64.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.49 -36.05 61.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -23.65 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -99.64 59.81 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 t -112.92 41.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.0 147.82 12.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 120.49 7.27 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.375 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.9 p -128.65 89.31 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.4 t -64.7 123.52 19.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.417 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -112.05 159.68 18.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.811 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -116.71 143.9 45.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.37 171.33 44.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -108.37 151.86 25.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -118.92 125.5 49.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.79 60.21 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 7.4 mmp_? -83.91 163.3 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 8' ' ' ARG . 4.9 pt -165.17 174.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 t -108.15 -38.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.27 -170.99 30.56 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.11 137.9 45.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 mt -41.25 -53.44 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.81 -41.92 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -58.84 -33.09 70.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.0 mtt -58.98 154.3 15.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.7 m -124.14 139.14 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -97.06 109.59 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -105.72 162.69 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.83 113.99 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.0 t -105.54 122.05 44.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.07 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.628 2.219 . . . . 0.0 112.33 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -117.22 123.93 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.534 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 28.8 t0 -55.08 151.58 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.513 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 12.4 t-160 -78.45 -13.55 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -79.14 -28.15 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 m -101.46 -9.59 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 8.5 m170 -47.88 -71.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.68 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -53.39 -37.58 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.4 mt -86.08 -48.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -45.12 -50.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.83 175.37 26.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.36 -59.04 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -106.34 15.68 25.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.51 27.62 50.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -88.57 -48.04 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.19 -41.77 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 tp -77.59 -27.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.04 -53.99 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -30.23 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 91.2 mt -73.1 -40.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.1 mtm -66.42 -55.19 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.25 -35.7 74.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -50.8 -54.2 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -103.21 5.0 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' MET . 25.6 mmtm 57.44 45.59 19.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.5 m -119.26 156.35 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -109.37 100.06 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.5 mt -84.27 129.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -119.4 111.31 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.27 155.36 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 121.99 8.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -66.86 176.46 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.5 p -59.32 -29.21 67.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.92 26.53 17.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.5 147.47 63.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.02 26.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.2 89.6 51.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -1.95 9.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -122.03 12.53 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.9 t -127.59 144.44 51.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.8 m -123.92 146.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.7 m -103.32 101.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -93.46 124.11 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.03 155.26 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.66 165.81 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.82 153.08 0.85 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -17.73 37.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -86.04 -33.36 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -86.07 -46.55 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -49.49 -46.19 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -56.43 -42.45 78.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 5.9 mm-40 -65.86 -39.78 91.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.54 -53.99 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CG2' HG13 ' A' ' 21' ' ' VAL . 71.2 mt -44.54 -55.11 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -45.65 -44.66 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.57 -35.43 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.28 -55.2 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.83 -34.68 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.22 -44.64 79.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.1 mt -75.58 -29.27 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.6 -46.94 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -70.83 -55.58 8.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -42.72 -44.58 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -73.44 -52.44 13.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -46.4 -42.5 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -39.8 -33.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.64 48.36 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.3 p -54.95 -44.56 74.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.24 146.41 18.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 124.99 11.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.741 2.294 . . . . 0.0 112.31 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 t -117.97 139.17 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.4 p -69.99 166.03 20.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -130.01 129.19 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 t -130.43 139.07 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.6 48.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -47.9 123.74 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -41.71 -44.33 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.42 145.27 2.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -83.5 159.82 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -161.9 168.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.1 t -104.37 -45.79 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.44 -172.71 25.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.23 144.42 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.5 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.82 -16.66 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -85.53 -27.43 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.09 161.67 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.78 140.08 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -96.16 119.49 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.37 160.09 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -109.39 117.33 33.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -111.92 120.29 42.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 102.32 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.0 tp -116.89 123.54 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -57.92 125.53 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -58.42 -16.21 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -75.22 -18.86 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 m -110.33 -19.72 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -37.28 -70.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.77 -46.64 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -48.55 -40.52 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.3 mt -80.26 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -42.98 -50.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 89.55 134.27 5.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -37.12 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -13.35 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.77 32.1 30.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -94.52 -31.71 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.4 tp -83.31 -22.12 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.72 -49.39 53.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 54.6 pttt -58.87 -43.24 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 81.6 mt -58.89 -44.1 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.6 mtm -63.26 -54.77 32.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -58.91 -38.27 78.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -49.17 -57.04 7.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -98.77 3.95 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 22.9 mmtp 58.6 42.46 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.26 164.92 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -115.65 96.94 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.55 118.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.58 114.1 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -82.3 153.96 69.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.44 3.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 8.1 pt20 -58.42 177.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -54.76 -55.33 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.18 21.49 10.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -67.29 146.87 98.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.69 20.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -131.05 89.74 41.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -1.51 8.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.94 10.32 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.95 139.18 52.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 m -115.9 130.5 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.8 m -90.11 103.0 15.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.2 t -94.13 132.02 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.51 159.07 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.78 164.92 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -47.61 152.85 1.15 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 -17.91 37.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.19 -30.92 30.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.27 -44.0 10.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.0 t -49.31 -48.34 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.53 -47.84 66.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.95 -43.5 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.49 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.3 mt -45.78 -57.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -42.8 -47.21 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -64.01 -39.22 93.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 98.6 mt -61.09 -58.08 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.2 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.22 -45.97 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.28 -32.85 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -56.56 -60.83 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -32.77 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.67 -39.49 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.98 -52.06 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.93 -33.62 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.91 -21.19 63.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -84.21 40.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.8 t 45.16 39.58 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.86 -159.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 142.18 47.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.0 m 69.22 36.46 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 m -124.7 103.81 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -76.55 172.61 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -82.57 162.69 21.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.38 159.21 22.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -139.24 145.28 39.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -82.77 99.13 9.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.92 -155.98 31.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -87.76 164.68 15.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -159.62 161.59 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.21 -35.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.11 -172.62 55.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -96.43 143.38 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.32 -58.66 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.64 -35.72 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -66.92 -27.97 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtt -57.62 149.3 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.22 147.09 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m -107.56 117.95 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -114.52 161.06 18.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 121.95 45.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.58 120.12 36.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 104.15 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.384 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 tp -120.41 131.74 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.515 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 45.7 t0 -62.16 145.76 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -78.17 -16.25 58.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -76.9 -20.15 56.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.83 10.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 7.9 m170 -66.97 -69.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.05 -37.96 62.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -56.99 -43.49 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.77 -44.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.449 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.7 mt -52.19 -49.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.19 127.03 4.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.43 -58.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -74.81 -28.21 60.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.57 16.81 38.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.482 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 14.0 tptm -87.81 -40.45 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.35 -62.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.6 tp -53.88 -26.43 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 5.4 tpp180 -61.87 -32.29 72.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -61.23 -50.8 71.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.6 mt -68.21 -39.98 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.86 -45.07 95.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -36.58 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.75 -54.17 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -98.99 2.43 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm 57.91 40.06 26.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -112.02 163.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -117.93 101.91 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.7 mt -84.72 106.38 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -95.87 106.82 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CE2' HG12 ' A' ' 32' ' ' ILE . 59.2 m-85 -72.74 150.48 90.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.15 4.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -53.09 -177.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.6 m -65.32 -48.19 73.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.65 19.37 33.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.95 148.61 97.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.87 23.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.82 89.73 38.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -118.52 14.04 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t -128.08 138.69 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.82 147.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.1 m -101.22 99.8 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.5 t -90.16 120.17 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -98.7 157.61 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.82 169.97 12.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.73 156.1 5.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -11.99 32.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.51 -33.17 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -86.2 -40.11 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.72 -54.24 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -47.36 -46.4 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.69 79.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.6 mt -48.91 -58.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -42.66 -44.51 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -66.78 -44.68 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.74 -60.55 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -54.27 -38.54 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -55.56 -50.04 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.64 -34.21 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.01 -57.86 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.34 -37.41 85.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.19 -47.32 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -71.5 -47.15 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.4 mt -47.25 -43.15 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.08 -30.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.98 53.29 2.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.6 t -49.27 -44.82 44.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.3 -164.63 11.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -15.59 36.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.351 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t -86.68 151.51 23.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 p -141.37 132.72 26.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -105.08 96.92 6.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.3 m -61.48 103.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.76 -104.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -129.45 177.19 7.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -112.84 164.45 13.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.81 110.85 2.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -91.42 171.71 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -149.58 -178.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.1 t -104.35 -27.59 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.17 -171.16 17.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -104.81 149.92 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -50.96 -42.4 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -55.42 -39.96 70.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mtt -48.51 156.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.04 139.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 p -87.63 135.8 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -134.24 142.34 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.19 120.3 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.418 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.6 t -113.46 119.82 41.02 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.85 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 31' ' ' ILE . 13.8 tp -120.94 131.83 54.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -69.94 142.05 52.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -69.37 -13.26 62.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -75.26 -15.42 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.7 m -117.77 -13.81 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -42.22 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.72 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -53.15 -31.42 42.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.466 ' CD1' HD23 ' A' ' 23' ' ' LEU . 80.1 mt -90.39 -38.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.6 -38.53 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.25 -153.32 23.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.34 -73.51 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -91.81 15.36 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.23 34.12 27.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.02 -49.79 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.31 -29.17 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.0 tp -93.18 -21.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.92 -48.08 72.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -58.8 -37.22 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.91 -44.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 mtm -61.53 -55.43 31.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.15 -35.98 76.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -50.94 -53.09 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -103.06 12.01 36.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 50.25 49.49 20.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.57 176.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -131.25 100.61 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.8 mt -82.86 138.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 52' ' ' PHE . 2.0 tmm_? -123.8 120.44 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.433 ' N ' ' HD2' ' A' ' 51' ' ' ARG . 54.0 m-85 -90.59 149.68 41.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 126.51 13.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.276 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.428 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 20.9 pt20 -72.16 168.38 18.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.4 m -50.41 -51.2 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.08 5.64 53.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -65.38 147.05 98.86 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.91 2.95 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -115.61 89.23 22.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -0.04 6.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.63 13.1 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.94 138.49 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.95 152.36 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -109.61 108.04 18.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.2 t -98.61 124.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -99.51 158.35 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.1 166.11 12.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -42.64 153.42 0.32 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.98 30.09 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -29.66 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -82.52 -38.17 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.19 -47.82 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 6.4 pt-20 -52.75 -38.09 60.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 44.6 mt-10 -71.85 -39.05 69.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.11 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' CG2' HG13 ' A' ' 21' ' ' VAL . 39.5 mt -46.26 -54.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -42.94 -40.21 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.93 -44.99 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 66.4 mt -56.59 -52.82 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.57 -49.08 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.0 mt -70.52 -29.01 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -53.44 -44.34 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -73.2 -47.34 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -54.24 -58.95 5.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -56.13 -51.83 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.41 -41.94 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.67 -25.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -95.49 56.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.2 t -86.47 -44.79 11.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -123.83 -160.91 10.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 110.14 2.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.2 p -86.48 -54.54 4.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.4 m -46.93 155.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -142.0 160.11 40.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 p -168.0 107.08 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.9 87.38 1.63 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -78.36 156.56 29.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -147.09 156.7 43.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.33 130.15 2.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.7 mmm-85 -51.56 170.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -156.69 174.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.13 -45.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.26 -167.54 23.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.43 147.66 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -49.15 -60.95 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -53.16 -46.51 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -50.44 -43.14 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.1 mtt -47.42 160.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.64 138.62 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 p -88.84 121.82 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -118.33 157.27 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -107.71 120.01 41.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.423 ' CG1' HG21 ' A' ' 76' ' ' ILE . 2.3 t -115.15 120.16 37.33 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.637 0.732 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 103.05 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 79' ' ' ILE . 20.9 tp -119.05 115.58 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -50.86 136.94 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.463 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 6.3 t60 -70.14 -16.46 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -73.89 -19.07 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' HIS . 7.4 m -113.44 -14.12 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.453 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 8.8 m170 -36.94 -59.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -56.75 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -38.97 -34.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.407 ' CD1' HD12 ' A' ' 23' ' ' LEU . 84.8 mt -87.68 -50.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.75 -42.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.74 -170.64 26.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.14 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.74 13.17 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.95 35.77 17.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -94.69 -49.16 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.78 -31.67 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 tp -88.11 -24.15 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -64.92 -43.44 92.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -61.78 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.28 -40.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.9 mtm -64.36 -56.04 17.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.54 -33.71 73.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.37 -55.99 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -105.11 7.98 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 67.1 mmtt 57.1 43.86 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.91 162.72 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -114.03 112.87 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.7 mt -94.63 109.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -101.51 109.3 21.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -78.15 154.63 79.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -76.83 -179.64 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 p -59.6 -35.59 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.75 34.58 5.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.49 35.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.074 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.4 25.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -130.82 90.73 39.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.61 8.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -118.92 11.14 12.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -125.47 143.09 51.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.6 m -121.46 145.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.5 m -101.6 106.83 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -99.98 123.0 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.7 m -99.09 157.64 16.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.5 165.9 11.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -47.98 153.4 1.18 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -17.22 37.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.33 -26.52 23.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -92.27 -41.41 10.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.25 -50.82 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.54 -45.85 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -62.53 -37.17 85.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.13 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.423 HG21 ' CG1' ' A' ' 21' ' ' VAL . 41.0 mt -53.85 -52.2 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.79 -33.62 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.33 -33.34 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 23' ' ' LEU . 64.3 mt -66.56 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.82 -30.09 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.29 -45.19 88.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.71 -35.31 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -50.41 -41.39 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 10.3 tt0 -75.28 -41.39 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.51 -38.43 84.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -75.09 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -51.16 -40.47 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -23.38 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -90.78 46.5 1.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.2 t -107.45 90.24 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 144.48 84.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.64 3.34 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' GLY . 29.4 m -145.87 117.01 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.3 m -39.55 97.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -112.72 154.87 25.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -57.25 123.05 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -156.51 -88.99 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 7.0 t -35.82 117.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -132.16 95.05 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.39 111.75 2.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 mmt-85 -85.41 166.65 16.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -153.69 172.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 21.8 t -104.61 -19.77 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.52 -172.66 25.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.46 144.63 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.59 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -45.54 -43.56 12.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -56.18 -41.39 75.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.5 mtt -44.95 157.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.13 140.82 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 p -99.09 137.32 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.12 160.22 39.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 123.79 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.9 t -116.11 121.4 33.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 tp -120.87 119.4 32.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.93 143.63 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -71.94 -15.84 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -74.4 -8.12 55.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 m -124.25 -7.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -51.8 -57.42 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.71 90.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.33 -33.91 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.8 mt -88.19 -45.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.27 -40.03 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.23 -170.82 33.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.44 -67.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 tpp85 -100.56 20.38 15.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.82 46.69 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' ARG . 31.0 tttp -86.79 -57.07 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.78 -38.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.054 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.3 tp -81.5 -32.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.6 tpp85 -55.7 -55.28 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -50.86 -29.53 12.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -77.09 -45.99 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.2 mtm -57.25 -49.29 76.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -35.52 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -47.16 -57.76 4.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -102.38 3.64 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HE2' ' CG2' ' A' ' 10' ' ' VAL . 4.6 mmmm 62.18 41.5 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 m -113.85 165.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.32 98.91 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.8 mt -78.44 131.02 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -119.44 111.31 17.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -81.29 155.13 72.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.43 6.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' N ' ' HB1' ' A' ' 57' ' ' ALA . 8.7 pt20 -60.89 174.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -38.7 74.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.88 26.66 23.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.409 ' HB1' ' N ' ' A' ' 54' ' ' GLN . . . -76.65 151.36 82.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.06 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.77 11.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -123.46 89.84 50.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.77 9.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.302 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -117.58 11.91 13.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 t -128.04 143.55 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.22 137.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 m -92.55 102.29 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 52.4 t -90.48 131.72 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -109.06 159.96 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.72 173.43 13.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.26 154.94 14.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -13.49 34.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -90.88 -29.62 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -88.73 -39.09 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.63 -52.5 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.3 pt-20 -49.07 -40.3 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.2 mt-10 -70.48 -37.9 74.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.21 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.6 mt -53.14 -55.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -46.37 -37.19 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -74.21 -42.03 60.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -59.81 -59.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.49 -31.92 69.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -56.64 -46.5 80.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 54.8 mt -70.36 -45.74 65.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' LEU . 13.9 tt0 -35.59 -48.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -52.55 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -45.76 -41.35 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -77.32 -46.31 23.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.1 mt -54.58 -30.63 54.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.68 -24.88 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -88.85 53.39 2.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -118.74 -45.89 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.4 147.35 16.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -27.32 26.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.6 p -73.66 131.56 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -56.12 147.48 20.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -171.37 138.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 m -113.17 150.97 31.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.8 118.58 2.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -78.46 102.63 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -125.24 130.91 53.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.37 169.05 16.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -87.18 170.51 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pp -159.13 168.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -88.68 -38.62 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.01 -176.73 22.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -89.81 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.18 -61.41 2.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -57.59 -19.1 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -78.24 -40.77 36.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.7 mtt -46.42 152.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.37 134.17 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -92.73 124.07 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -118.8 163.6 16.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -107.24 121.09 43.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.19 119.88 41.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.572 0.701 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 102.7 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.24 . . . . 0.0 112.335 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -120.55 119.2 32.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.15 142.27 56.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.405 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 49.9 p-80 -68.54 -11.97 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -74.68 -16.46 60.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' HIS . 34.8 m -119.06 -17.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . 5.9 m170 -34.9 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.33 -50.37 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -44.2 -40.2 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.3 mt -81.46 -49.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.42 -50.92 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.01 150.27 23.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.462 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.7 -64.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -105.34 24.81 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.06 62.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -92.55 -34.2 14.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.2 -32.63 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 tp -85.95 -33.43 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.62 -49.78 67.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.05 -45.89 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.6 mtm -60.0 -52.2 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.32 -33.54 73.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -53.8 -54.59 36.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -103.71 7.74 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' MET . 43.2 mmtm 54.22 37.21 26.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.7 m -109.09 172.99 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -121.93 106.14 10.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 54.4 mt -92.1 108.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -102.22 108.99 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -74.64 157.03 86.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.6 7.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.96 173.07 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.0 m -58.37 -13.55 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.89 20.72 9.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.61 148.31 61.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.546 0.689 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.66 89.77 45.64 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 1.27 4.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.394 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.56 9.6 8.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 t -127.8 142.51 51.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.6 m -114.27 155.4 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -110.2 100.27 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.56 128.79 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.38 160.03 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.99 168.66 12.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 1.6 mm? -47.76 151.76 1.48 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -17.04 37.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.65 -26.55 22.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -91.8 -38.41 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 68' ' ' LEU . 77.9 t -56.01 -54.42 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -44.97 -47.44 11.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.58 -57.77 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.8 mt -44.11 -57.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -49.22 -43.72 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -69.91 -30.33 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.27 -58.33 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.34 -34.5 66.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.24 -48.66 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' GLU . 78.4 mt -64.27 -49.07 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -38.2 -54.62 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.13 -44.59 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.37 -57.37 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -54.83 -65.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 88' ' ' ALA . 12.5 mt -41.59 -49.52 4.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . -35.77 -39.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.14 70.31 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.3 p -107.02 -47.17 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -45.15 -94.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 159.08 54.66 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.2 p -63.68 151.6 41.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 p -94.34 162.4 13.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.508 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -134.71 147.42 50.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -112.87 43.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.24 132.33 10.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -168.44 158.28 9.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -44.9 147.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.98 92.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.4 mmm-85 -91.18 162.71 14.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pp -157.11 172.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.4 t -93.84 -50.69 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.76 178.1 24.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.62 140.72 33.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -42.53 -51.88 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -56.08 -43.27 77.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.97 -42.87 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.4 mtt -52.01 157.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -134.32 139.2 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -97.55 117.57 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -116.15 162.83 16.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.61 129.58 55.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG12 ' CG2' ' A' ' 76' ' ' ILE . 1.8 t -122.94 119.21 27.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -117.4 117.22 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 30.0 t0 -47.9 142.72 4.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 10.6 t-160 -75.39 -14.11 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -76.87 -18.5 58.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 m -113.4 6.26 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.9 m170 -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.46 99.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.562 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 71.0 mtt180 -53.87 -35.8 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.4 mt -85.22 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -42.79 -51.52 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.26 153.4 25.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.8 -62.04 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.14 23.11 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.34 23.39 78.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -80.73 -48.02 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -41.88 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.2 tp -80.56 -16.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -74.15 -43.33 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -64.52 -33.41 75.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 94.9 mt -69.82 -53.16 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.0 mtm -52.77 -45.06 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.23 88.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.54 -60.77 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.32 4.27 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm 54.96 48.68 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.2 m -117.95 171.26 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.64 104.65 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.3 mt -85.67 144.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -132.45 116.76 17.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.45 ' N ' ' HD3' ' A' ' 51' ' ' ARG . 85.1 m-85 -88.88 151.12 46.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 123.6 10.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -72.76 178.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 m -64.11 -16.52 61.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.78 8.09 31.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.89 147.9 78.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.53 6.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.21 89.9 10.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.99 11.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -121.74 12.61 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 t -123.76 139.1 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.2 m -120.08 150.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.7 m -107.46 110.47 22.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.3 t -99.35 122.29 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.1 166.42 12.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -44.72 151.59 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -21.51 33.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.76 -30.56 22.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.44 -38.73 19.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.28 -54.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -42.88 -42.41 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.02 -50.28 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.16 -58.09 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.4 ' CG2' HG12 ' A' ' 21' ' ' VAL . 61.4 mt -41.09 -52.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.68 -41.48 43.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.39 -36.51 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.81 -63.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.85 -36.69 49.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.98 -46.21 64.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.95 -38.77 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -42.96 -60.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.23 -49.9 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -48.24 -56.35 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 39.1 m-85 -61.4 -47.59 85.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 68.2 mt -52.55 -33.89 47.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.85 -27.09 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.06 61.32 2.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -60.92 -44.09 97.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.83 -92.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -25.74 28.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.6 p -66.57 -50.57 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.0 m -88.38 124.59 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.538 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -152.39 158.52 42.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -157.46 116.16 3.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.98 87.77 0.47 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -47.35 -51.26 20.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -90.46 104.5 17.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 141.27 5.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -83.39 166.55 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.8 pt -159.35 175.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.2 t -100.85 -35.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.11 -167.86 44.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.7 156.39 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -58.29 9.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.43 -37.74 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -56.99 -41.15 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 58.5 mtt -50.83 154.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 m -131.77 141.59 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p -96.97 121.3 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.12 159.59 24.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -108.75 111.47 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.413 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.6 t -107.46 119.1 51.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.83 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.596 2.198 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 tp -115.51 123.04 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 41.2 t0 -56.19 141.59 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 7.1 p80 -72.47 -12.26 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -79.45 -27.96 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.6 m -102.19 2.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.43 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.99 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -31.76 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.3 mt -91.97 -48.98 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.2 -50.18 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.15 131.42 5.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -36.54 -57.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -75.29 -29.72 60.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.45 8.85 52.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' ARG . 25.9 tttp -81.97 -38.0 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.24 -54.06 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.0 tp -62.56 -28.94 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' LYS . 9.0 tpt85 -63.91 -34.26 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -60.06 -47.08 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.71 -47.05 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -53.32 -32.25 48.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -82.97 -39.47 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.8 -52.75 55.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.08 11.39 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm 46.39 47.61 13.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.9 m -116.12 167.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -121.36 105.62 10.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.2 mt -91.66 116.13 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.47 111.01 23.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -80.66 151.83 71.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.57 9.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 57' ' ' ALA . 11.4 pt20 -62.15 168.62 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -47.98 -56.54 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.84 24.69 7.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB3' ' N ' ' A' ' 54' ' ' GLN . . . -69.69 151.04 96.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.073 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.74 24.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.89 89.89 23.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.16 8.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -118.75 12.81 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -128.28 136.99 51.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.9 m -119.66 147.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -102.19 105.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -95.19 118.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.179 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -102.57 149.73 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 166.59 11.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -40.39 148.14 0.35 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.93 35.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.81 -27.43 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -89.6 -36.52 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.1 t -58.91 -54.87 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -47.32 -43.87 23.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.56 -52.73 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 -46.5 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.413 ' CG2' HG13 ' A' ' 21' ' ' VAL . 75.9 mt -52.08 -55.85 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -42.65 -41.65 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -68.49 -44.51 74.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.1 mt -57.74 -60.56 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.62 -38.47 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -52.41 -47.27 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.6 mt -70.14 -49.03 54.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -40.58 -39.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -72.05 -45.95 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -57.57 -52.65 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -58.64 -54.93 41.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.5 mt -50.05 -50.05 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.29 -35.14 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -109.27 45.65 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.1 p -91.05 -45.98 8.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.13 79.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 91.98 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 m -96.82 106.96 19.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.7 p -141.03 147.39 38.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m -143.6 153.59 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -152.38 123.24 7.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 55.48 0.41 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 m -117.15 177.74 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -122.98 -50.85 1.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.79 84.43 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -48.37 142.3 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 pt -145.65 -178.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.5 t -84.57 -44.37 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.67 -169.66 47.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -96.34 146.62 24.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.42 -54.98 24.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -57.84 -39.46 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -58.31 -41.15 83.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.7 mtt -51.12 153.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.13 142.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -99.54 120.71 40.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.54 156.03 26.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -105.93 116.74 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 76' ' ' ILE . 2.2 t -110.62 119.34 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 101.27 0.88 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 tp -120.31 132.47 55.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.555 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 27.2 t0 -69.83 150.11 47.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 8.9 t-160 -74.55 -13.29 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -72.58 -38.55 67.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.448 ' CG1' ' HG ' ' A' ' 87' ' ' LEU . 19.2 m -94.35 -6.06 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 7.0 m170 -50.04 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -45.47 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -48.48 -31.92 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.1 mt -90.68 -51.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -44.42 -51.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.28 129.13 4.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.45 -61.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.082 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -74.97 -26.33 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.66 15.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -89.32 -38.39 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.91 -33.36 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.456 ' CD1' HD12 ' A' ' 50' ' ' ILE . 5.0 tp -82.25 -30.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.19 -56.37 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -43.81 42.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.14 -50.76 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' LYS . 28.1 mtm -53.59 -56.37 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -58.26 -46.9 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -39.38 -46.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 75' ' ' ALA . 26.6 m-85 -109.64 -0.49 18.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' MET . 35.2 mmtm 61.1 44.29 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.78 175.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -123.7 99.42 6.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' A' ' 39' ' ' ILE . 79.3 mt -83.31 133.3 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -124.81 121.7 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -92.37 153.22 42.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 115.01 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.48 -177.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -57.65 -39.42 76.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 46.61 1.61 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.99 145.66 31.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -34.84 13.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.84 91.13 50.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.57 8.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -118.99 13.86 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -126.84 146.03 50.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.8 m -125.59 148.24 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -108.34 113.51 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.21 128.16 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.38 155.11 19.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.05 164.11 11.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -42.5 150.53 0.41 Allowed Pre-proline 0 C--N 1.328 -0.37 0 CA-C-O 121.549 0.69 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.09 32.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.217 . . . . 0.0 112.331 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -90.92 -29.64 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -86.81 -40.13 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.85 -55.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.8 pt-20 -43.91 -47.15 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 39.3 mm-40 -65.83 -40.27 91.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -60.61 -45.31 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.421 ' CG2' HG11 ' A' ' 21' ' ' VAL . 90.0 mt -53.2 -58.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -44.58 -39.3 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.442 ' CD2' HD12 ' A' ' 82' ' ' LEU . 6.3 t60 -69.57 -41.66 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.07 -55.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.3 -35.57 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 3.1 t30 -53.41 -46.33 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD12 ' CD2' ' A' ' 78' ' ' HIS . 35.3 mt -74.45 -33.87 63.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -49.94 -45.62 51.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -57.26 -41.95 80.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.08 -46.65 20.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.448 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 55.2 mt -57.67 -36.03 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.66 -36.35 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.12 57.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.5 t -87.41 77.5 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.39 -157.64 24.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.75 3.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.377 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 t -46.78 108.92 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.4 p -154.52 166.57 32.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -39.68 127.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -138.72 155.41 48.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.22 -94.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -101.8 168.35 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.925 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.0 p -61.92 -46.79 87.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.86 -129.59 2.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -67.87 -177.76 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pt -163.52 -176.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.28 -40.83 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.3 -178.16 38.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -100.64 146.28 27.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.403 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.69 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -46.22 -39.8 10.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.4 mtt -41.3 146.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.35 139.59 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 p -95.11 116.1 28.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -114.48 158.32 21.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.71 132.48 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.433 ' CG1' HG21 ' A' ' 76' ' ' ILE . 2.9 t -122.92 123.67 26.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 79' ' ' ILE . 14.6 tp -120.64 125.93 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -69.85 138.41 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.454 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 7.4 t-160 -63.04 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 -67.74 -16.94 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.5 m -115.6 -16.8 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.454 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 10.9 m170 -41.07 -67.92 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.21 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 2.2 mpt_? -48.51 -31.04 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -92.17 -52.02 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mt -43.07 -52.4 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 95.03 125.14 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -33.96 -56.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 1.3 mpp_? -80.34 -25.57 39.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.22 22.56 22.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -90.64 -32.28 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.5 68.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 tp -83.55 -23.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -68.15 -48.7 64.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -58.8 -44.72 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.4 mt -57.89 -41.13 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtm -65.65 -55.26 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -59.78 -37.28 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -48.75 -55.16 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -100.93 4.52 42.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm 59.46 43.11 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.43 166.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.0 102.03 8.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.6 mt -84.41 127.25 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -113.2 116.33 29.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -87.33 150.79 49.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -67.46 -176.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -53.58 -52.87 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.95 40.57 3.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.9 144.04 27.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.42 23.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -131.98 93.28 27.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -1.02 7.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.89 12.06 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.46 142.51 51.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.433 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 33.6 m -119.72 154.46 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.1 m -113.09 102.95 10.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.4 t -90.27 122.79 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.85 150.64 21.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.19 170.6 12.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 2.9 mm? -53.88 155.15 6.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.14 36.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.9 -30.12 18.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -87.8 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' GLU . 71.8 t -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' VAL . 18.0 pt-20 -37.33 -44.82 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.93 -50.79 63.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.49 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.433 HG21 ' CG1' ' A' ' 21' ' ' VAL . 76.1 mt -51.41 -50.59 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -50.13 -40.89 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.74 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.468 ' CG2' HD13 ' A' ' 23' ' ' LEU . 92.1 mt -66.6 -57.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.28 -34.72 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -54.25 -45.23 72.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.07 -30.3 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -51.63 -53.34 39.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -66.99 -45.1 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -51.35 -38.72 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 30' ' ' ARG . 20.5 m-85 -77.64 -47.72 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.03 -42.32 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.35 -37.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -126.31 41.13 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -157.2 112.33 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.17 159.74 9.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 139.12 39.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t -153.84 161.72 41.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.0 m -41.9 134.28 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.523 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -68.13 98.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -71.65 178.12 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.72 -169.91 33.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -138.6 151.33 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -71.94 164.02 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.49 135.89 3.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.436 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -92.87 165.46 12.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -158.37 172.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t -88.48 -38.76 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.94 -159.09 17.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 13.2 mt-10 -103.23 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.49 -60.06 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.24 -23.2 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 26.5 mt-30 -74.61 -30.47 61.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.0 mtt -51.83 155.64 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.38 134.74 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 p -88.91 125.98 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -126.12 160.61 29.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.85 127.12 55.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' CG1' HG21 ' A' ' 76' ' ' ILE . 2.2 t -118.2 122.66 30.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 100.87 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 31' ' ' ILE . 11.0 tp -117.15 124.28 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -62.29 129.23 39.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 32.6 p-80 -58.8 -13.49 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -78.4 -10.14 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.7 m -117.6 -13.74 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.458 ' CD2' ' CD2' ' A' ' 23' ' ' LEU . 15.8 m170 -47.55 -67.89 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.44 -53.63 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -31.56 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 23' ' ' LEU . 59.1 mt -86.98 -37.55 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.5 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.1 -144.33 17.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.07 -65.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.457 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 43.1 ttt-85 -105.32 16.05 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.63 36.25 17.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' CD ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -92.5 -51.68 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.855 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.78 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 tp -85.69 -29.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -62.12 -55.88 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -45.82 -36.97 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.27 -35.45 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.4 mtm -67.2 -54.05 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.21 -25.66 67.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.535 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 46.2 tt0 -54.46 -49.69 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.535 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -114.07 6.76 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.83 43.35 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.99 157.77 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -111.43 112.21 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.1 mt -94.88 130.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -124.46 112.26 16.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -79.48 153.56 76.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.19 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 15.4 pt20 -70.92 174.35 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.5 p -61.16 -15.76 37.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.45 1.47 30.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -67.14 147.89 98.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.594 0.712 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.9 3.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -111.05 90.34 11.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.73 3.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.282 . . . . 0.0 112.32 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.25 12.16 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.97 145.51 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 m -124.45 142.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -95.64 108.32 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.2 t -101.39 123.96 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -101.7 161.95 13.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.8 163.86 11.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -46.08 155.0 0.55 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -15.86 37.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.91 -29.16 16.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.06 -38.53 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.17 -48.27 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -52.95 -44.04 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -46.82 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.405 HG21 ' CG1' ' A' ' 21' ' ' VAL . 31.4 mt -54.44 -56.32 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.46 -39.16 6.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -72.83 -38.48 67.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.19 -58.59 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.38 -32.28 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -56.06 -45.12 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 76.0 mt -76.01 -27.04 57.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -61.19 -45.03 96.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -46.54 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.33 -38.55 80.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 13.6 m-85 -69.53 -59.28 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.25 -44.53 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.71 -37.29 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -102.42 67.06 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 p -121.37 113.08 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.3 -158.98 16.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.17 17.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.363 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 t -110.73 -48.41 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -80.15 95.85 6.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -51.46 138.39 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.374 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -134.72 122.28 21.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.7 103.79 0.61 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -118.92 80.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.7 p -57.38 164.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.8 150.16 19.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -65.39 166.19 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -152.93 -176.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.2 t -125.91 -47.96 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.73 -178.45 36.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -95.71 150.52 20.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mp -54.06 -50.5 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -63.98 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.92 -42.13 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 mtt -49.04 159.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.44 131.6 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -85.78 124.54 32.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.32 159.13 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -109.18 136.41 48.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 76' ' ' ILE . 2.2 t -127.15 119.25 22.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.05 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 tp -119.79 124.56 46.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -57.24 125.42 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.496 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 56.7 p-80 -61.12 -16.25 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.77 -18.09 64.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.44 ' CG1' ' HG ' ' A' ' 87' ' ' LEU . 20.0 m -117.79 -9.37 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.6 m170 -45.01 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.47 -52.97 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 17.8 mmm180 -41.89 -44.89 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.6 mt -74.55 -53.07 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 52' ' ' PHE . 60.1 mt -41.88 -52.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.25 131.4 5.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.05 -60.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -73.34 -23.57 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.47 24.05 32.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -92.96 -30.17 15.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.51 -34.1 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.9 tp -86.24 -23.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -67.83 -49.33 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.55 -48.88 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.0 mtm -55.4 -48.23 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -66.99 -35.05 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.63 -58.68 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -97.1 8.6 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 53.58 42.59 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 m -113.72 175.74 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -126.15 97.57 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.0 mt -82.53 131.44 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -123.84 121.67 36.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.452 ' CD1' HG12 ' A' ' 63' ' ' VAL . 42.8 m-85 -88.41 154.73 51.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 116.72 4.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.622 2.215 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -74.43 179.21 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -17.1 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.9 18.18 29.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.68 143.58 33.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -37.48 8.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -115.05 92.35 30.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.546 0.688 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 13.98 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.07 145.51 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.452 HG12 ' CD1' ' A' ' 52' ' ' PHE . 18.7 m -120.52 156.56 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -115.54 108.57 16.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.77 139.05 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -115.56 146.94 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.89 175.08 13.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.33 153.88 12.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.94 33.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.5 -31.47 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -89.46 -43.11 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.69 -49.85 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -52.21 -41.51 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.82 -49.32 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.07 -53.85 37.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.42 ' CG2' HG11 ' A' ' 21' ' ' VAL . 96.4 mt -43.11 -55.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -48.83 -35.65 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -73.01 -38.61 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.9 mt -64.45 -60.88 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.79 -35.82 64.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -54.22 -46.0 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.6 mt -70.91 -40.27 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -40.12 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.74 -42.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -59.73 -57.65 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 32.6 m-85 -53.22 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 13.2 mt -47.58 -36.36 10.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.25 -40.17 11.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.75 58.79 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.1 p -83.38 -47.84 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.3 82.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 1.85 4.09 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.4 p -67.27 86.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -63.52 158.45 20.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -147.34 149.5 32.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -132.13 156.41 46.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 160.09 33.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -102.23 -57.12 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.845 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 48.18 41.06 15.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.98 57.29 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.5 mmt-85 -91.72 159.59 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -160.85 173.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.4 t -87.71 -46.62 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.11 -163.09 15.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 3.3 mm-40 -105.38 143.8 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.9 -64.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.84 -19.56 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.459 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 19.8 mt-30 -80.78 -24.2 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.54 154.92 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.28 136.05 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 m -91.83 140.13 29.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.98 154.84 47.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.28 118.53 36.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.96 120.51 37.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.25 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 31' ' ' ILE . 16.7 tp -120.83 109.23 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 20.6 t0 -47.54 153.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -77.51 -26.65 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -68.52 -4.69 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.51 -6.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.7 m170 -52.48 -68.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.88 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -52.41 -32.67 40.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.423 ' CD1' HD13 ' A' ' 23' ' ' LEU . 84.6 mt -90.16 -51.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.5 mt -44.97 -46.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.64 167.49 26.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 -53.24 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 7.87 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.53 32.16 8.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' ARG . 41.6 tttt -94.3 -53.44 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 31' ' ' ILE . . . -39.39 -33.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.413 HD13 ' CD1' ' A' ' 50' ' ' ILE . 3.2 tp -89.81 -30.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.8 tpt85 -56.31 -37.06 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 17.3 ptpt -71.46 -38.33 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -66.3 -44.77 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' LYS . 13.2 mtm -57.2 -56.45 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.13 -32.5 73.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 36.0 tt0 -46.35 -52.77 12.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -116.11 7.34 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' MET . 0.2 OUTLIER 62.61 40.93 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.899 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.45 154.49 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.41 100.92 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.413 ' CD1' HD13 ' A' ' 39' ' ' ILE . 35.7 mt -80.2 117.91 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.62 110.86 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.463 ' CE2' HG12 ' A' ' 32' ' ' ILE . 75.2 m-85 -80.0 152.97 74.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.71 11.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.64 -178.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -66.75 -22.39 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.87 21.79 11.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.01 153.2 92.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.581 0.705 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.81 29.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.24 89.74 27.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.61 4.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -123.29 8.55 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 t -124.09 144.44 49.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -121.43 148.19 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.7 m -104.06 100.51 10.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.5 t -90.07 118.6 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -94.02 156.92 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.23 167.24 12.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -50.55 154.84 2.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.65 37.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.24 -26.13 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -91.38 -45.23 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.8 t -52.71 -56.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -43.42 -48.7 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.9 81.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.6 mt -51.73 -57.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -45.83 -38.11 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -72.32 -40.78 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.72 -58.17 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.15 -31.88 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 1.7 t30 -57.62 -46.95 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.49 -28.95 59.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -55.1 -43.96 74.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.43 -47.15 71.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.43 -50.99 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -60.75 -53.37 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -52.03 -42.35 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.07 -25.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.74 58.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -95.05 -48.03 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.68 -95.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 117.45 5.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.743 2.295 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.7 t -126.44 94.89 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -150.41 130.36 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -133.29 -56.92 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.8 p 42.96 44.29 3.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.17 121.9 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -86.35 175.82 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -158.45 128.33 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 114.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -83.71 -177.59 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pt -166.51 177.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.7 -36.49 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.23 -175.92 54.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -99.58 153.67 18.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.03 -47.94 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.64 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.02 -16.14 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.7 mtt -68.82 156.11 38.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.61 152.02 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 p -103.28 122.17 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.49 164.3 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.59 125.74 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.57 124.28 28.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 100.32 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 79' ' ' ILE . 21.1 tp -120.8 123.44 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.514 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 29.8 t0 -55.18 137.18 47.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 14.9 p80 -75.82 -17.29 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -71.45 -18.69 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.55 12.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.3 m170 -66.78 -61.03 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.49 -27.79 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.16 -46.08 68.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.6 mt -75.93 -37.98 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.9 mt -49.86 -53.15 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.1 153.35 24.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.48 -66.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -103.16 24.88 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.64 38.66 61.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.8 mmmt -90.87 -55.21 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.54 -32.65 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.5 tp -89.02 -21.66 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LYS . 13.1 tpp85 -66.03 -45.85 79.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -59.79 -38.11 80.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.92 -43.06 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LYS . 22.2 mtm -64.29 -54.16 37.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.12 -52.78 63.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -105.8 3.91 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' MET . 28.6 mmtt 61.17 53.03 3.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.38 162.72 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -114.82 101.18 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.1 mt -83.32 144.62 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -131.33 120.63 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -88.92 158.1 47.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.09 4.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' SER . 51.8 mm-40 -70.91 164.4 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' GLN . 7.4 t -38.01 -58.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.49 44.63 3.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.65 144.35 27.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.592 0.71 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -43.68 2.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -115.6 91.0 27.96 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.69 10.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.66 14.21 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.18 139.98 52.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.9 m -120.38 126.02 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -84.65 107.18 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -95.99 135.07 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -110.85 153.78 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.97 167.7 12.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -44.77 150.85 0.66 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.21 34.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.94 -27.51 24.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -87.67 -46.76 9.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.2 t -47.49 -54.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -46.22 -47.41 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -60.05 -42.31 94.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.53 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.9 mt -46.99 -56.84 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -46.99 -36.45 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -74.22 -32.56 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 23' ' ' LEU . 71.8 mt -70.11 -59.64 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.58 -29.95 62.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.16 -52.57 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLU . 88.8 mt -61.85 -48.15 81.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -35.03 -52.31 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.17 -43.9 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' LEU . 9.4 mt-10 -59.49 -36.63 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.84 -54.18 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.0 mt -57.18 -34.28 68.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.35 -27.53 24.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -132.3 47.75 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.6 m -119.73 82.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -167.4 -73.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 85.55 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.7 p -156.5 143.9 19.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -98.85 135.93 39.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p 38.91 42.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.827 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -93.37 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.95 179.36 49.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -81.35 112.04 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -131.53 115.88 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.7 -178.05 16.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -74.37 166.64 23.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.332 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -152.06 -178.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.75 -24.07 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.87 -175.48 51.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -100.79 155.76 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.18 -63.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -45.96 -39.02 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.45 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.2 mtt -52.21 151.14 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.24 137.54 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 p -90.11 118.18 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -116.69 156.8 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.67 119.74 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.448 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.1 t -112.18 119.02 44.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.616 0.722 . . . . 0.0 111.18 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 101.82 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.2 tp -119.28 128.62 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -66.73 137.03 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -63.18 -11.83 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt-85 -78.03 -5.87 52.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 28' ' ' HIS . 32.6 m -123.47 -24.56 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 27' ' ' VAL . 12.4 m170 -34.43 -65.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.22 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HB3' ' CG ' ' A' ' 86' ' ' TYR . 32.7 mmt180 -47.92 -28.57 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.5 mt -93.68 -49.51 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.5 -48.9 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.31 -149.96 19.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.6 -64.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.44 21.26 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.47 22.32 67.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -84.64 -30.79 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.72 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 tp -75.89 -36.37 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.68 -28.92 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -61.41 -54.58 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -61.07 -41.52 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.2 mtm -57.15 -42.19 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.27 -29.46 42.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.42 -52.09 55.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -114.15 6.57 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.45 44.75 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.4 163.63 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.46 109.7 17.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.3 mt -89.91 117.79 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 112.2 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -82.58 150.2 62.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 127.69 14.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -83.04 163.56 20.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -46.34 -26.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.56 32.61 7.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.97 149.34 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -31.75 20.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.371 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.45 90.29 51.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -4.8 14.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -118.87 14.22 13.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.41 140.22 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 m -118.29 141.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.6 m -100.66 106.33 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -95.19 137.23 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -114.31 145.86 41.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . 140.64 161.61 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' GLY . 3.8 mm? -37.67 152.57 0.13 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.702 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.41 31.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -88.24 -26.37 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.51 -34.52 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.03 -49.74 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -50.28 -39.37 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -71.74 -38.87 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.4 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.448 ' CG2' HG13 ' A' ' 21' ' ' VAL . 85.2 mt -50.02 -55.35 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -48.75 -38.77 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 78' ' ' HIS . 4.8 t60 -69.76 -35.54 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.5 mt -65.57 -52.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.67 -30.71 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -59.65 -45.54 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.3 mt -78.42 -30.14 47.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -51.41 -44.4 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -73.85 -49.54 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.9 -39.39 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.429 ' CG ' ' HB3' ' A' ' 30' ' ' ARG . 17.5 m-85 -74.23 -48.37 29.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.09 -37.78 35.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.44 -28.21 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -82.34 45.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.7 t -124.3 44.43 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.15 -159.64 33.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.03 16.9 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 t -100.47 -55.16 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.797 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.1 p -155.17 130.71 9.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.547 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -170.85 131.21 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 t -71.48 152.1 43.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.04 -161.73 30.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m 54.33 43.37 30.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 p -153.53 167.27 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.23 146.13 9.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -98.51 162.19 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pp -158.16 162.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.5 t -101.26 -45.05 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.63 171.15 47.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.92 156.15 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.74 -57.18 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.22 -40.62 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.21 -36.56 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.1 mtt -52.53 152.36 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -130.37 141.91 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 p -96.57 118.58 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -115.32 141.78 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.28 110.49 22.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 76' ' ' ILE . 2.9 t -100.86 119.66 57.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 98.98 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 tp -121.04 124.41 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 39.7 t0 -62.32 143.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.557 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 12.4 t60 -73.04 -10.96 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -77.29 -13.45 59.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.53 -9.35 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 20.3 m170 -50.75 -71.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -40.39 58.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -54.26 -44.36 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.1 mt -75.86 -37.6 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 52' ' ' PHE . 84.6 mt -69.02 -28.13 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.97 -115.27 2.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.54 -174.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -51.9 -16.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 158.22 33.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' ARG . 39.6 ttmt -94.83 -58.63 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.58 -32.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 tp -88.92 -26.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LYS . 3.0 tpm_? -63.97 -50.21 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 28.3 pttt -53.03 -39.3 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -65.63 -40.51 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.2 mtm -60.87 -58.12 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.81 -35.62 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -49.61 -55.57 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.35 10.11 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 54.99 38.11 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.51 -178.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -132.45 102.05 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 mt -93.8 110.65 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -107.14 110.34 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 32' ' ' ILE . 51.6 m-85 -74.7 149.56 85.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.666 0.746 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.86 9.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.281 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.93 -178.16 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.2 p -53.44 -47.78 69.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.03 44.01 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 146.29 32.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.569 0.7 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -31.52 20.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.748 2.299 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.18 92.78 38.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -2.83 10.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -121.36 12.73 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.2 t -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 35.3 m -114.61 155.82 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -109.9 108.94 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.37 121.15 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -99.53 158.25 15.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.22 170.87 12.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.7 mm? -55.03 155.01 9.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.15 37.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.62 -27.26 23.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.71 -38.07 12.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.0 t -61.31 -55.77 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -39.6 -46.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.75 -46.68 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.29 73.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.434 ' CG2' HG13 ' A' ' 21' ' ' VAL . 12.8 mt -51.43 -49.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -53.72 -47.57 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -59.87 -38.23 81.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.03 -58.48 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.8 -32.64 69.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -57.13 -50.52 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.2 mt -66.15 -47.39 74.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -39.46 -53.21 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.69 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.3 -43.79 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -75.76 -44.08 43.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.9 mt -50.6 -48.18 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . -37.18 -38.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.05 71.68 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.3 p -80.73 93.98 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.75 -158.64 25.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 160.53 49.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.6 t -114.99 109.03 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -50.58 145.32 6.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -102.3 147.77 26.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -51.47 -59.04 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.66 -37.64 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.25 -29.89 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.1 mtt -59.54 151.85 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -127.94 134.04 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.6 p -85.24 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -126.95 161.5 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.06 118.43 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.741 HG13 HG23 ' A' ' 76' ' ' ILE . 2.4 t -110.24 122.17 39.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 101.64 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.41 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD13 HG22 ' A' ' 79' ' ' ILE . 16.3 tp -120.79 130.29 53.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.24 141.86 54.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.08 -14.0 62.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -78.55 -15.48 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 83' ' ' GLU . 19.5 m -118.65 7.55 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -69.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -53.95 -49.71 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -44.87 -37.98 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 65.9 mt -83.8 -45.91 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 29' ' ' ALA . 20.2 mt -52.73 -38.14 26.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -154.0 21.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.12 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -108.4 23.95 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.52 32.37 34.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -90.04 -52.8 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -47.29 -31.67 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.613 HD11 ' CD1' ' A' ' 50' ' ' ILE . 10.0 tp -91.16 -18.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -70.56 -40.56 73.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -67.15 -35.42 79.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.2 mt -67.95 -42.01 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.2 mtm -61.34 -54.97 36.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.09 -34.12 73.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -51.72 -55.5 19.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.85 4.43 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' MET . 36.3 mmtt 57.98 43.36 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.69 175.31 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.1 97.12 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.613 ' CD1' HD11 ' A' ' 39' ' ' ILE . 84.9 mt -80.18 126.46 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -117.68 101.48 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -70.39 150.25 95.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD3' HG12 ' A' ' 63' ' ' VAL . 53.2 Cg_endo -69.81 126.84 13.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.419 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 13.5 pt20 -73.99 167.78 20.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.9 m -47.93 -51.42 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 21.16 11.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -74.38 147.69 85.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.579 0.705 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.2 27.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -133.77 89.81 29.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -0.58 7.12 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.07 10.88 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 t -128.24 140.43 51.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.412 HG12 ' HD3' ' A' ' 53' ' ' PRO . 12.4 m -121.4 133.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 m -91.44 113.01 25.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 50' ' ' ILE . 86.0 t -105.03 131.5 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 157.64 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.71 166.96 11.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.462 ' CD2' ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -46.57 153.52 0.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.48 36.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.54 -30.54 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -86.42 -41.72 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -54.22 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 14.9 pt-20 -45.04 -47.47 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 7.5 mm-40 -62.19 -43.08 99.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.64 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.741 HG23 HG13 ' A' ' 21' ' ' VAL . 56.8 mt -53.63 -58.98 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -46.32 -36.15 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -74.31 -32.14 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.574 HG22 HD13 ' A' ' 23' ' ' LEU . 92.0 mt -68.1 -57.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -56.08 -32.8 64.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -71.06 -29.82 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.621 ' HG3' HG21 ' A' ' 27' ' ' VAL . 23.2 tt0 -55.9 -57.25 12.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -57.42 -61.25 2.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -40.07 -53.04 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -61.97 -54.81 36.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.4 mt -45.26 -48.71 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -107.1 142.16 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 mp -48.72 -66.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -42.89 -46.03 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.05 -37.15 71.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.0 mtt -52.04 150.52 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -129.42 144.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -95.85 128.18 42.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -125.02 160.97 27.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.15 114.08 25.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.637 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.3 t -110.34 121.18 42.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 ' CG2' ' A' ' 79' ' ' ILE . 23.7 tp -118.35 123.29 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 27' ' ' VAL . 37.9 t0 -59.76 127.17 30.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 0.8 OUTLIER -59.33 -24.65 63.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 mmp_? -62.72 -18.0 61.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 24' ' ' ASP . 17.5 m -117.09 -15.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.4 m170 -40.06 -70.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.857 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -54.19 -49.74 68.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -46.3 -33.35 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.583 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 75.6 mt -87.48 -46.17 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.857 HD12 ' HA ' ' A' ' 29' ' ' ALA . 22.0 mt -47.78 -50.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.54 158.33 33.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.09 -55.89 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -96.75 21.63 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.08 30.59 64.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -88.01 -44.15 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -49.97 -35.25 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 tp -89.74 -23.0 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -64.69 -41.05 96.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.31 -34.7 78.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.44 -46.06 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.37 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.43 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -55.63 -57.39 12.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.517 ' O ' HG13 ' A' ' 48' ' ' VAL . 36.9 m-85 -99.72 12.11 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt 47.86 47.66 18.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 46' ' ' PHE . 32.4 m -120.5 165.95 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.37 99.53 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.4 mt -82.89 110.43 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -104.0 106.27 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.46 154.06 85.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.09 9.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -73.81 174.33 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -51.89 -42.32 62.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 43.06 2.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.94 148.27 34.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.47 25.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.74 89.6 45.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -2.94 11.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -119.75 9.4 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.9 t -123.13 137.01 55.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.12 141.72 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.8 m -100.01 101.08 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.26 129.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -106.83 157.75 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.99 168.66 12.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.8 mm? -48.78 151.55 2.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.79 37.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -87.01 -27.45 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -90.25 -39.26 12.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.3 t -56.03 -53.96 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.82 -44.72 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -64.84 -42.62 94.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -55.03 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.637 HG23 ' CG1' ' A' ' 21' ' ' VAL . 83.9 mt -45.52 -57.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -44.26 -38.92 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -71.74 -37.91 70.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.793 ' CG2' HD13 ' A' ' 23' ' ' LEU . 93.2 mt -62.69 -55.36 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.49 -44.39 76.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 53.3 mt -76.98 -40.51 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -41.13 -44.74 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.31 -69.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.8 tp10 -42.52 -57.89 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 82' ' ' LEU . 5.4 m-85 -45.26 -54.75 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.441 HD21 ' OD2' ' A' ' 24' ' ' ASP . 14.9 mt -52.93 -45.96 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.15 150.87 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.29 -66.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -47.85 -43.18 28.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -53.66 -31.67 48.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.56 154.03 18.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.78 144.37 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.8 p -95.81 133.5 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.7 ' CD ' HG11 ' A' ' 72' ' ' VAL . 23.0 mt-10 -133.71 140.48 47.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -94.95 115.92 28.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.644 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.1 t -108.83 121.69 42.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.37 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.594 HD13 ' CG2' ' A' ' 79' ' ' ILE . 15.4 tp -120.37 124.62 45.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -64.22 140.55 58.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -66.5 -12.0 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -74.01 -29.85 62.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.23 -16.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -43.12 -63.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.11 -53.68 55.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -42.37 -37.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 HD21 ' A' ' 23' ' ' LEU . 97.5 mt -83.2 -51.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.8 mt -43.14 -52.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 93.09 127.02 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -34.17 -58.2 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.93 -28.07 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.28 22.07 23.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -29.45 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -56.98 -28.55 62.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 tp -89.66 -20.16 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -73.01 -46.02 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -58.64 -35.58 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.75 -47.6 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 mtm -58.73 -44.78 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.55 -37.05 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -50.91 -55.9 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -96.46 0.57 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 63.42 36.18 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.08 173.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -126.93 93.45 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mt -80.55 135.87 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -128.38 114.76 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -78.87 151.25 76.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.672 0.749 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.27 2.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -59.14 176.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.7 p -53.86 -51.83 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.58 36.08 3.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.39 146.51 34.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -33.58 16.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.75 89.72 52.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.14 15.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.56 12.47 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -127.61 141.79 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.61 133.45 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.6 m -89.23 107.32 18.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -98.93 123.55 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -104.52 161.5 14.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.47 168.84 12.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -47.14 151.53 1.2 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -19.38 36.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -84.39 -30.84 25.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -85.94 -39.18 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.7 HG11 ' CD ' ' A' ' 19' ' ' GLU . 20.4 t -59.07 -51.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -46.37 -39.87 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.68 -50.1 22.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.33 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.644 HG23 ' CG1' ' A' ' 21' ' ' VAL . 48.9 mt -50.3 -52.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -53.47 -42.76 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -65.89 -30.16 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.594 ' CG2' HD13 ' A' ' 23' ' ' LEU . 97.0 mt -68.94 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' OE1' ' A' ' 83' ' ' GLU . 10.6 mt -53.83 -25.0 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.18 -47.58 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.77 -36.09 62.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' OE1' HD23 ' A' ' 80' ' ' LEU . 10.2 tt0 -51.08 -40.57 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -71.54 -44.4 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.91 -49.06 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.36 -49.31 64.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.49 -36.05 61.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.11 137.9 45.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 mt -41.25 -53.44 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.81 -41.92 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -58.84 -33.09 70.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.0 mtt -58.98 154.3 15.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 67' ' ' GLY . 19.7 m -124.14 139.14 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -97.06 109.59 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -105.72 162.69 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.83 113.99 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.644 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.0 t -105.54 122.05 44.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.07 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.628 2.219 . . . . 0.0 112.33 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD21 HD12 ' A' ' 31' ' ' ILE . 13.7 tp -117.22 123.93 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -55.08 151.58 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -78.45 -13.55 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -79.14 -28.15 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 m -101.46 -9.59 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.521 ' CE1' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -47.88 -71.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.68 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -53.39 -37.58 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.711 HD12 HD21 ' A' ' 23' ' ' LEU . 65.4 mt -86.08 -48.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -45.12 -50.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.83 175.37 26.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.36 -59.04 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -106.34 15.68 25.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.51 27.62 50.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -88.57 -48.04 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.19 -41.77 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 50' ' ' ILE . 7.5 tp -77.59 -27.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.04 -53.99 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -55.88 -30.23 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 91.2 mt -73.1 -40.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.1 mtm -66.42 -55.19 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.25 -35.7 74.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -50.8 -54.2 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -103.21 5.0 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' MET . 25.6 mmtm 57.44 45.59 19.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.5 m -119.26 156.35 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -109.37 100.06 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.553 ' CD1' HD11 ' A' ' 39' ' ' ILE . 62.5 mt -84.27 129.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -119.4 111.31 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.27 155.36 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 121.99 8.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -66.86 176.46 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.5 p -59.32 -29.21 67.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.92 26.53 17.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.5 147.47 63.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.02 26.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -127.2 89.6 51.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.852 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.4 Cg_endo -69.77 -1.95 9.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -122.03 12.53 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.9 t -127.59 144.44 51.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.8 m -123.92 146.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.7 m -103.32 101.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 50' ' ' ILE . 99.7 t -93.46 124.11 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.03 155.26 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 17' ' ' VAL . . . 133.66 165.81 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.409 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.9 mm? -46.82 153.08 0.85 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -17.73 37.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -86.04 -33.36 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -86.07 -46.55 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -49.49 -46.19 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -56.43 -42.45 78.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 5.9 mm-40 -65.86 -39.78 91.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.54 -53.99 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.644 HG23 ' CG1' ' A' ' 21' ' ' VAL . 71.2 mt -44.54 -55.11 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -45.65 -44.66 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.57 -35.43 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.621 ' CG2' HD13 ' A' ' 23' ' ' LEU . 96.9 mt -66.28 -55.2 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.83 -34.68 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.22 -44.64 79.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.1 mt -75.58 -29.27 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.6 -46.94 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -70.83 -55.58 8.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -42.72 -44.58 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -73.44 -52.44 13.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -46.4 -42.5 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.774 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.23 144.42 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.5 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.82 -16.66 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -85.53 -27.43 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.09 161.67 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.78 140.08 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -96.16 119.49 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.37 160.09 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -109.39 117.33 33.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -111.92 120.29 42.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 102.32 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.643 HD21 HD12 ' A' ' 31' ' ' ILE . 21.0 tp -116.89 123.54 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.669 ' O ' HG22 ' A' ' 27' ' ' VAL . 34.7 t0 -57.92 125.53 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -58.42 -16.21 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -75.22 -18.86 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 24' ' ' ASP . 22.3 m -110.33 -19.72 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -37.28 -70.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.77 -46.64 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -48.55 -40.52 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.643 HD12 HD21 ' A' ' 23' ' ' LEU . 41.3 mt -80.26 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -42.98 -50.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 89.55 134.27 5.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -37.12 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -13.35 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.77 32.1 30.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -94.52 -31.71 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.4 tp -83.31 -22.12 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.72 -49.39 53.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 54.6 pttt -58.87 -43.24 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 81.6 mt -58.89 -44.1 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.6 mtm -63.26 -54.77 32.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -58.91 -38.27 78.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -49.17 -57.04 7.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -98.77 3.95 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 22.9 mmtp 58.6 42.46 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.26 164.92 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -115.65 96.94 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.417 HG12 HG22 ' A' ' 65' ' ' VAL . 82.6 mt -80.55 118.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.58 114.1 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -82.3 153.96 69.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.44 3.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 8.1 pt20 -58.42 177.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -54.76 -55.33 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.18 21.49 10.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -67.29 146.87 98.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.69 20.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -131.05 89.74 41.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -1.51 8.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.94 10.32 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.95 139.18 52.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 m -115.9 130.5 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.8 m -90.11 103.0 15.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.417 HG22 HG12 ' A' ' 50' ' ' ILE . 88.2 t -94.13 132.02 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.51 159.07 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.78 164.92 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -47.61 152.85 1.15 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 -17.91 37.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.19 -30.92 30.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.27 -44.0 10.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 68' ' ' LEU . 26.0 t -49.31 -48.34 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.53 -47.84 66.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.95 -43.5 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.49 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.438 HG23 ' CG1' ' A' ' 21' ' ' VAL . 53.3 mt -45.78 -57.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -42.8 -47.21 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -64.01 -39.22 93.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.536 HG22 HD13 ' A' ' 23' ' ' LEU . 98.6 mt -61.09 -58.08 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.2 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.22 -45.97 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.28 -32.85 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' A' ' 27' ' ' VAL . 19.4 tt0 -56.56 -60.83 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -32.77 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.67 -39.49 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.98 -52.06 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.93 -33.62 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.847 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -96.43 143.38 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.32 -58.66 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.64 -35.72 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -66.92 -27.97 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtt -57.62 149.3 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.22 147.09 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m -107.56 117.95 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -114.52 161.06 18.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 121.95 45.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -115.58 120.12 36.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 104.15 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.384 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD23 ' HE1' ' A' ' 52' ' ' PHE . 44.2 tp -120.41 131.74 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.16 145.76 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -78.17 -16.25 58.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -76.9 -20.15 56.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.83 10.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -69.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.05 -37.96 62.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -56.99 -43.49 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.77 -44.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.469 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.7 mt -52.19 -49.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.19 127.03 4.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.43 -58.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -74.81 -28.21 60.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.57 16.81 38.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.482 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 14.0 tptm -87.81 -40.45 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.35 -62.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.676 HD11 HD12 ' A' ' 50' ' ' ILE . 6.6 tp -53.88 -26.43 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 5.4 tpp180 -61.87 -32.29 72.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -61.23 -50.8 71.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.6 mt -68.21 -39.98 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.86 -45.07 95.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -36.58 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.75 -54.17 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -98.99 2.43 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm 57.91 40.06 26.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -112.02 163.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -117.93 101.91 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.676 HD12 HD11 ' A' ' 39' ' ' ILE . 56.7 mt -84.72 106.38 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -95.87 106.82 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE2' HG12 ' A' ' 32' ' ' ILE . 59.2 m-85 -72.74 150.48 90.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.15 4.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.622 ' HG2' ' HB2' ' A' ' 57' ' ' ALA . 7.1 pt20 -53.09 -177.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.6 m -65.32 -48.19 73.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.65 19.37 33.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 54' ' ' GLN . . . -68.95 148.61 97.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.87 23.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.82 89.73 38.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -118.52 14.04 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t -128.08 138.69 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 21' ' ' VAL . 34.6 m -120.82 147.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.1 m -101.22 99.8 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.5 t -90.16 120.17 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -98.7 157.61 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.82 169.97 12.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.9 mm? -53.73 156.1 5.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -11.99 32.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.51 -33.17 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -86.2 -40.11 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 68' ' ' LEU . 53.4 t -57.72 -54.24 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -47.36 -46.4 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.69 79.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG23 ' CG1' ' A' ' 21' ' ' VAL . 77.6 mt -48.91 -58.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -42.66 -44.51 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.558 ' NE2' HD11 ' A' ' 82' ' ' LEU . 4.2 t60 -66.78 -44.68 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.74 -60.55 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -54.27 -38.54 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -55.56 -50.04 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.558 HD11 ' NE2' ' A' ' 78' ' ' HIS . 66.8 mt -64.64 -34.21 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.01 -57.86 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.34 -37.41 85.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.19 -47.32 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -71.5 -47.15 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.4 mt -47.25 -43.15 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.736 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -104.81 149.92 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -50.96 -42.4 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -55.42 -39.96 70.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mtt -48.51 156.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.04 139.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 p -87.63 135.8 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HB2' HG11 ' A' ' 72' ' ' VAL . 6.4 mt-10 -134.24 142.34 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.19 120.3 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.6 t -113.46 119.82 41.02 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.85 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.779 HD21 HD12 ' A' ' 31' ' ' ILE . 13.8 tp -120.94 131.83 54.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.435 ' O ' HG22 ' A' ' 27' ' ' VAL . 7.7 t0 -69.94 142.05 52.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -69.37 -13.26 62.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -75.26 -15.42 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG21 ' HG3' ' A' ' 83' ' ' GLU . 23.7 m -117.77 -13.81 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.22 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.72 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -53.15 -31.42 42.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.779 HD12 HD21 ' A' ' 23' ' ' LEU . 80.1 mt -90.39 -38.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.6 -38.53 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.25 -153.32 23.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.34 -73.51 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -91.81 15.36 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.23 34.12 27.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.02 -49.79 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.31 -29.17 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 50' ' ' ILE . 11.0 tp -93.18 -21.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.92 -48.08 72.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -58.8 -37.22 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.91 -44.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 mtm -61.53 -55.43 31.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.15 -35.98 76.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -50.94 -53.09 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -103.06 12.01 36.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 50.25 49.49 20.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.57 176.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -131.25 100.61 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.5 HD13 HD11 ' A' ' 39' ' ' ILE . 13.8 mt -82.86 138.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 52' ' ' PHE . 2.0 tmm_? -123.8 120.44 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' N ' ' HD2' ' A' ' 51' ' ' ARG . 54.0 m-85 -90.59 149.68 41.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 126.51 13.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.276 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 20.9 pt20 -72.16 168.38 18.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.4 m -50.41 -51.2 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.08 5.64 53.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 54' ' ' GLN . . . -65.38 147.05 98.86 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.91 2.95 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -115.61 89.23 22.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -0.04 6.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.63 13.1 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.94 138.49 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.95 152.36 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -109.61 108.04 18.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 50' ' ' ILE . 77.2 t -98.61 124.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -99.51 158.35 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.1 166.11 12.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.6 mm? -42.64 153.42 0.32 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.98 30.09 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -29.66 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -82.52 -38.17 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 68' ' ' LEU . 76.2 t -63.19 -47.82 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 6.4 pt-20 -52.75 -38.09 60.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 44.6 mt-10 -71.85 -39.05 69.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.11 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.47 HG23 ' CG1' ' A' ' 21' ' ' VAL . 39.5 mt -46.26 -54.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -42.94 -40.21 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.427 ' NE2' HD11 ' A' ' 82' ' ' LEU . 7.0 t60 -71.93 -44.99 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.732 HG22 HD13 ' A' ' 23' ' ' LEU . 66.4 mt -56.59 -52.82 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.618 HD23 ' OE1' ' A' ' 83' ' ' GLU . 11.8 mt -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.57 -49.08 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD11 ' NE2' ' A' ' 78' ' ' HIS . 28.0 mt -70.52 -29.01 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.618 ' OE1' HD23 ' A' ' 80' ' ' LEU . 30.8 tt0 -53.44 -44.34 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -73.2 -47.34 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -54.24 -58.95 5.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -56.13 -51.83 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.41 -41.94 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.757 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.43 147.66 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -49.15 -60.95 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -53.16 -46.51 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -50.44 -43.14 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.1 mtt -47.42 160.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.64 138.62 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 p -88.84 121.82 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.529 ' HB2' HG11 ' A' ' 72' ' ' VAL . 6.4 mm-40 -118.33 157.27 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -107.71 120.01 41.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.551 HG13 HG23 ' A' ' 76' ' ' ILE . 2.3 t -115.15 120.16 37.33 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.637 0.732 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 103.05 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD13 ' CG2' ' A' ' 79' ' ' ILE . 20.9 tp -119.05 115.58 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.8 t0 -50.86 136.94 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 2.9 t-80 -70.14 -16.46 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -73.89 -19.07 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 24' ' ' ASP . 7.4 m -113.44 -14.12 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 8.8 m170 -36.94 -59.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -56.75 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -38.97 -34.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.487 HD12 HD21 ' A' ' 23' ' ' LEU . 84.8 mt -87.68 -50.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.75 -42.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.74 -170.64 26.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.14 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.74 13.17 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.95 35.77 17.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -94.69 -49.16 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -47.78 -31.67 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 50' ' ' ILE . 8.5 tp -88.11 -24.15 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -64.92 -43.44 92.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -61.78 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.28 -40.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.9 mtm -64.36 -56.04 17.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.54 -33.71 73.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.37 -55.99 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -105.11 7.98 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 67.1 mmtt 57.1 43.86 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.91 162.72 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -114.03 112.87 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' A' ' 39' ' ' ILE . 88.7 mt -94.63 109.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -101.51 109.3 21.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.553 ' HE2' HD23 ' A' ' 23' ' ' LEU . 36.4 m-85 -78.15 154.63 79.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -76.83 -179.64 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 p -59.6 -35.59 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.75 34.58 5.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.49 35.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.074 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.4 25.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -130.82 90.73 39.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.61 8.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -118.92 11.14 12.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -125.47 143.09 51.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 21' ' ' VAL . 13.6 m -121.46 145.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.5 m -101.6 106.83 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.433 HG22 HG12 ' A' ' 50' ' ' ILE . 59.0 t -99.98 123.0 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 67' ' ' GLY . 8.7 m -99.09 157.64 16.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 66' ' ' THR . . . 131.5 165.9 11.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.9 mm? -47.98 153.4 1.18 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -17.22 37.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.33 -26.52 23.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -92.27 -41.41 10.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 68' ' ' LEU . 72.4 t -53.25 -50.82 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.54 -45.85 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -62.53 -37.17 85.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.13 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.551 HG23 HG13 ' A' ' 21' ' ' VAL . 41.0 mt -53.85 -52.2 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.79 -33.62 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.33 -33.34 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.687 ' CG2' HD13 ' A' ' 23' ' ' LEU . 64.3 mt -66.56 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.82 -30.09 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.29 -45.19 88.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.71 -35.31 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -50.41 -41.39 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 10.3 tt0 -75.28 -41.39 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.51 -38.43 84.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -75.09 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -51.16 -40.47 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.46 144.63 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.59 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -45.54 -43.56 12.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -56.18 -41.39 75.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.5 mtt -44.95 157.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.13 140.82 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 p -99.09 137.32 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.12 160.22 39.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 123.79 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.544 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.9 t -116.11 121.4 33.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.673 HD13 HG22 ' A' ' 79' ' ' ILE . 24.9 tp -120.87 119.4 32.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.0 t70 -55.93 143.63 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -71.94 -15.84 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -74.4 -8.12 55.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.538 HG21 ' HG3' ' A' ' 83' ' ' GLU . 21.7 m -124.25 -7.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.476 ' CD2' HD23 ' A' ' 23' ' ' LEU . 12.2 m170 -51.8 -57.42 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.71 90.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.33 -33.91 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 HD21 ' A' ' 23' ' ' LEU . 40.8 mt -88.19 -45.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.27 -40.03 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.23 -170.82 33.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.44 -67.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 tpp85 -100.56 20.38 15.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.82 46.69 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' ARG . 31.0 tttp -86.79 -57.07 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.78 -38.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.054 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.745 HD11 HD12 ' A' ' 50' ' ' ILE . 5.3 tp -81.5 -32.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.6 tpp85 -55.7 -55.28 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -50.86 -29.53 12.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -77.09 -45.99 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.2 mtm -57.25 -49.29 76.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -35.52 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -47.16 -57.76 4.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -102.38 3.64 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm 62.18 41.5 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 m -113.85 165.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.32 98.91 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.745 HD12 HD11 ' A' ' 39' ' ' ILE . 49.8 mt -78.44 131.02 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -119.44 111.31 17.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -81.29 155.13 72.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.43 6.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.89 174.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -38.7 74.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.88 26.66 23.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.65 151.36 82.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.06 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.77 11.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -123.46 89.84 50.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.77 9.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.302 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -117.58 11.91 13.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 t -128.04 143.55 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.22 137.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 m -92.55 102.29 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 52.4 t -90.48 131.72 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -109.06 159.96 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.72 173.43 13.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 68' ' ' LEU . 3.6 mm? -56.26 154.94 14.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -13.49 34.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -90.88 -29.62 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -88.73 -39.09 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.63 -52.5 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.3 pt-20 -49.07 -40.3 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.2 mt-10 -70.48 -37.9 74.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.21 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.544 HG23 ' CG1' ' A' ' 21' ' ' VAL . 47.6 mt -53.14 -55.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -46.37 -37.19 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -74.21 -42.03 60.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.673 HG22 HD13 ' A' ' 23' ' ' LEU . 88.2 mt -59.81 -59.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD23 ' OE1' ' A' ' 83' ' ' GLU . 12.5 mt -59.49 -31.92 69.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -56.64 -46.5 80.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 54.8 mt -70.36 -45.74 65.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.541 ' OE1' HD23 ' A' ' 80' ' ' LEU . 13.9 tt0 -35.59 -48.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -52.55 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -45.76 -41.35 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -77.32 -46.31 23.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.1 mt -54.58 -30.63 54.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.807 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA3' HD21 ' A' ' 68' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 9.6 mm-40 -89.81 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.18 -61.41 2.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -57.59 -19.1 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 20.0 mt-30 -78.24 -40.77 36.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.7 mtt -46.42 152.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.37 134.17 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -92.73 124.07 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -118.8 163.6 16.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -107.24 121.09 43.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.576 HG13 HG23 ' A' ' 76' ' ' ILE . 2.3 t -113.19 119.88 41.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.572 0.701 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 102.7 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.24 . . . . 0.0 112.335 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 31' ' ' ILE . 15.0 tp -120.55 119.2 32.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.15 142.27 56.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.414 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 49.9 p-80 -68.54 -11.97 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -74.68 -16.46 60.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' HIS . 34.8 m -119.06 -17.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . 5.9 m170 -34.9 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -53.33 -50.37 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -44.2 -40.2 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 63.3 mt -81.46 -49.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 29' ' ' ALA . 57.8 mt -45.42 -50.92 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.01 150.27 23.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.462 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.7 -64.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -105.34 24.81 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.06 62.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -92.55 -34.2 14.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -60.2 -32.63 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 50' ' ' ILE . 4.1 tp -85.95 -33.43 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.62 -49.78 67.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.05 -45.89 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.6 mtm -60.0 -52.2 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.32 -33.54 73.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -53.8 -54.59 36.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -103.71 7.74 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' MET . 43.2 mmtm 54.22 37.21 26.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.7 m -109.09 172.99 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -121.93 106.14 10.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.514 HD12 HD11 ' A' ' 39' ' ' ILE . 54.4 mt -92.1 108.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -102.22 108.99 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.446 ' HE2' HD23 ' A' ' 23' ' ' LEU . 34.7 m-85 -74.64 157.03 86.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.6 7.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.96 173.07 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.0 m -58.37 -13.55 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.89 20.72 9.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.61 148.31 61.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.546 0.689 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -129.66 89.77 45.64 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.3 Cg_endo -69.7 1.27 4.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.394 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -124.56 9.6 8.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 t -127.8 142.51 51.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.483 HG22 ' HB ' ' A' ' 21' ' ' VAL . 4.6 m -114.27 155.4 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -110.2 100.27 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.56 128.79 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.38 160.03 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.99 168.66 12.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.941 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 mm? -47.76 151.76 1.48 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -17.04 37.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.65 -26.55 22.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -91.8 -38.41 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 68' ' ' LEU . 77.9 t -56.01 -54.42 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -44.97 -47.44 11.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.58 -57.77 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.576 HG23 HG13 ' A' ' 21' ' ' VAL . 76.8 mt -44.11 -57.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -49.22 -43.72 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -69.91 -30.33 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.27 -58.33 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.34 -34.5 66.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.24 -48.66 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' GLU . 78.4 mt -64.27 -49.07 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.842 ' OE1' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -38.2 -54.62 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.13 -44.59 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 9.6 tp10 -59.37 -57.37 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -54.83 -65.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.842 HD12 ' OE1' ' A' ' 83' ' ' GLU . 12.5 mt -41.59 -49.52 4.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.62 140.72 33.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -42.53 -51.88 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -56.08 -43.27 77.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.97 -42.87 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.4 mtt -52.01 157.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -134.32 139.2 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -97.55 117.57 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -116.15 162.83 16.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.61 129.58 55.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.8 t -122.94 119.21 27.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.572 HD21 HD12 ' A' ' 31' ' ' ILE . 26.2 tp -117.4 117.22 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 30.0 t0 -47.9 142.72 4.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.418 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 2.9 t60 -75.39 -14.11 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -76.87 -18.5 58.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 m -113.4 6.26 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.9 m170 -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.46 99.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.57 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 71.0 mtt180 -53.87 -35.8 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.572 HD12 HD21 ' A' ' 23' ' ' LEU . 91.4 mt -85.22 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -42.79 -51.52 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.26 153.4 25.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.8 -62.04 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.14 23.11 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.34 23.39 78.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -80.73 -48.02 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -41.88 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.864 HD11 HD13 ' A' ' 50' ' ' ILE . 10.2 tp -80.56 -16.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -74.15 -43.33 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -64.52 -33.41 75.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 94.9 mt -69.82 -53.16 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.0 mtm -52.77 -45.06 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.23 88.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.54 -60.77 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.32 4.27 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm 54.96 48.68 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.2 m -117.95 171.26 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.64 104.65 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.864 HD13 HD11 ' A' ' 39' ' ' ILE . 12.3 mt -85.67 144.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -132.45 116.76 17.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' N ' ' HD3' ' A' ' 51' ' ' ARG . 85.1 m-85 -88.88 151.12 46.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 123.6 10.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -72.76 178.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 m -64.11 -16.52 61.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.78 8.09 31.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.89 147.9 78.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.53 6.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.21 89.9 10.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.99 11.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -121.74 12.61 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 t -123.76 139.1 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.2 m -120.08 150.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.7 m -107.46 110.47 22.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.3 t -99.35 122.29 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.1 166.42 12.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.9 mm? -44.72 151.59 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -21.51 33.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.76 -30.56 22.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.44 -38.73 19.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 68' ' ' LEU . 60.0 t -60.28 -54.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -42.88 -42.41 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.02 -50.28 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.16 -58.09 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.497 HG23 ' CG1' ' A' ' 21' ' ' VAL . 61.4 mt -41.09 -52.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.68 -41.48 43.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.39 -36.51 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.81 -63.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.85 -36.69 49.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.98 -46.21 64.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.95 -38.77 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -42.96 -60.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.23 -49.9 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -48.24 -56.35 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 39.1 m-85 -61.4 -47.59 85.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 68.2 mt -52.55 -33.89 47.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.793 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.7 156.39 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -58.29 9.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.43 -37.74 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -56.99 -41.15 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 58.5 mtt -50.83 154.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 m -131.77 141.59 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p -96.97 121.3 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.12 159.59 24.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -108.75 111.47 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.488 HG11 HG23 ' A' ' 76' ' ' ILE . 2.6 t -107.46 119.1 51.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.83 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.596 2.198 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.644 HD13 HG22 ' A' ' 79' ' ' ILE . 26.5 tp -115.51 123.04 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 41.2 t0 -56.19 141.59 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 7.1 p80 -72.47 -12.26 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -79.45 -27.96 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.562 HG11 ' HG2' ' A' ' 83' ' ' GLU . 16.6 m -102.19 2.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.99 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -31.76 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.3 mt -91.97 -48.98 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.2 -50.18 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.15 131.42 5.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -36.54 -57.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -75.29 -29.72 60.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.45 8.85 52.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' ARG . 25.9 tttp -81.97 -38.0 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.24 -54.06 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.744 HD11 HD12 ' A' ' 50' ' ' ILE . 9.0 tp -62.56 -28.94 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' LYS . 9.0 tpt85 -63.91 -34.26 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -60.06 -47.08 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.71 -47.05 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -53.32 -32.25 48.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -82.97 -39.47 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.8 -52.75 55.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.08 11.39 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm 46.39 47.61 13.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.9 m -116.12 167.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -121.36 105.62 10.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.744 HD12 HD11 ' A' ' 39' ' ' ILE . 30.2 mt -91.66 116.13 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.47 111.01 23.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -80.66 151.83 71.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.57 9.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.478 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 11.4 pt20 -62.15 168.62 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -47.98 -56.54 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.84 24.69 7.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -69.69 151.04 96.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.073 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.74 24.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.89 89.89 23.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.16 8.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -118.75 12.81 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -128.28 136.99 51.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.9 m -119.66 147.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -102.19 105.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -95.19 118.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.179 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -102.57 149.73 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 166.59 11.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.9 mm? -40.39 148.14 0.35 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.93 35.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.81 -27.43 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -89.6 -36.52 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.1 t -58.91 -54.87 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -47.32 -43.87 23.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.56 -52.73 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 -46.5 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.488 HG23 HG11 ' A' ' 21' ' ' VAL . 75.9 mt -52.08 -55.85 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -42.65 -41.65 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.401 ' NE2' HD11 ' A' ' 82' ' ' LEU . 5.4 t60 -68.49 -44.51 74.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.644 HG22 HD13 ' A' ' 23' ' ' LEU . 70.1 mt -57.74 -60.56 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.62 -38.47 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -52.41 -47.27 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 35.6 mt -70.14 -49.03 54.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' HG2' HG11 ' A' ' 27' ' ' VAL . 1.2 tm-20 -40.58 -39.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -72.05 -45.95 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -57.57 -52.65 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 82' ' ' LEU . 32.7 m-85 -58.64 -54.93 41.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.5 mt -50.05 -50.05 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.819 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -96.34 146.62 24.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.42 -54.98 24.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -57.84 -39.46 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -58.31 -41.15 83.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.7 mtt -51.12 153.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.13 142.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -99.54 120.71 40.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.54 156.03 26.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -105.93 116.74 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 63' ' ' VAL . 2.2 t -110.62 119.34 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 101.27 0.88 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.65 HD13 HG22 ' A' ' 79' ' ' ILE . 13.9 tp -120.31 132.47 55.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 27.2 t0 -69.83 150.11 47.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.518 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 2.5 t60 -74.55 -13.29 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -72.58 -38.55 67.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.561 HG21 ' HG3' ' A' ' 83' ' ' GLU . 19.2 m -94.35 -6.06 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -50.04 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -45.47 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -48.48 -31.92 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 53.1 mt -90.68 -51.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -44.42 -51.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.28 129.13 4.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.45 -61.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.082 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -74.97 -26.33 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.66 15.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -89.32 -38.39 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -51.91 -33.36 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.427 HD11 ' HB ' ' A' ' 50' ' ' ILE . 5.0 tp -82.25 -30.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.19 -56.37 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -43.81 42.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.14 -50.76 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' LYS . 28.1 mtm -53.59 -56.37 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -58.26 -46.9 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -39.38 -46.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 75' ' ' ALA . 26.6 m-85 -109.64 -0.49 18.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' MET . 35.2 mmtm 61.1 44.29 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.78 175.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -123.7 99.42 6.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.427 ' HB ' HD11 ' A' ' 39' ' ' ILE . 79.3 mt -83.31 133.3 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -124.81 121.7 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -92.37 153.22 42.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 115.01 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.48 -177.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -57.65 -39.42 76.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 46.61 1.61 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.99 145.66 31.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -34.84 13.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.84 91.13 50.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.57 8.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -118.99 13.86 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -126.84 146.03 50.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 21' ' ' VAL . 35.8 m -125.59 148.24 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -108.34 113.51 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.21 128.16 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.38 155.11 19.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.05 164.11 11.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.549 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.5 mm? -42.5 150.53 0.41 Allowed Pre-proline 0 C--N 1.328 -0.37 0 CA-C-O 121.549 0.69 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.09 32.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.217 . . . . 0.0 112.331 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -90.92 -29.64 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -86.81 -40.13 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 68' ' ' LEU . 72.0 t -59.85 -55.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.8 pt-20 -43.91 -47.15 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 39.3 mm-40 -65.83 -40.27 91.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -60.61 -45.31 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.494 HG23 ' CG1' ' A' ' 21' ' ' VAL . 90.0 mt -53.2 -58.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -44.58 -39.3 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.43 ' NE2' HD11 ' A' ' 82' ' ' LEU . 6.3 t60 -69.57 -41.66 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.65 HG22 HD13 ' A' ' 23' ' ' LEU . 82.6 mt -61.07 -55.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.514 HD23 ' OE1' ' A' ' 83' ' ' GLU . 18.0 mt -61.3 -35.57 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 3.1 t30 -53.41 -46.33 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD11 ' NE2' ' A' ' 78' ' ' HIS . 35.3 mt -74.45 -33.87 63.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.561 ' HG3' HG21 ' A' ' 27' ' ' VAL . 9.2 tt0 -49.94 -45.62 51.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -57.26 -41.95 80.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.08 -46.65 20.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 55.2 mt -57.67 -36.03 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.797 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -100.64 146.28 27.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.403 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.69 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -46.22 -39.8 10.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.4 mtt -41.3 146.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.35 139.59 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 p -95.11 116.1 28.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -114.48 158.32 21.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.71 132.48 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.684 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.9 t -122.92 123.67 26.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 31' ' ' ILE . 14.6 tp -120.64 125.93 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 27' ' ' VAL . 17.4 t0 -69.85 138.41 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 3.6 t60 -63.04 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 -67.74 -16.94 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.797 HG21 ' HG3' ' A' ' 83' ' ' GLU . 26.5 m -115.6 -16.8 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 10.9 m170 -41.07 -67.92 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.21 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 2.2 mpt_? -48.51 -31.04 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.652 HD12 HD21 ' A' ' 23' ' ' LEU . 76.8 mt -92.17 -52.02 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mt -43.07 -52.4 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 95.03 125.14 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -33.96 -56.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 1.3 mpp_? -80.34 -25.57 39.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.22 22.56 22.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -90.64 -32.28 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.5 68.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 tp -83.55 -23.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -68.15 -48.7 64.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 37.1 pttt -58.8 -44.72 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 88.4 mt -57.89 -41.13 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtm -65.65 -55.26 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -59.78 -37.28 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -48.75 -55.16 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -100.93 4.52 42.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm 59.46 43.11 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.43 166.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.0 102.03 8.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.6 mt -84.41 127.25 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -113.2 116.33 29.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -87.33 150.79 49.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -67.46 -176.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -53.58 -52.87 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.95 40.57 3.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.9 144.04 27.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.42 23.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -131.98 93.28 27.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -1.02 7.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.89 12.06 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.46 142.51 51.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 21' ' ' VAL . 33.6 m -119.72 154.46 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.1 m -113.09 102.95 10.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.4 t -90.27 122.79 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.85 150.64 21.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.19 170.6 12.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.568 ' O ' HG23 ' A' ' 72' ' ' VAL . 2.9 mm? -53.88 155.15 6.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.14 36.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.9 -30.12 18.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -87.8 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 68' ' ' LEU . 71.8 t -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' VAL . 18.0 pt-20 -37.33 -44.82 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.93 -50.79 63.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.49 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.684 HG23 ' CG1' ' A' ' 21' ' ' VAL . 76.1 mt -51.41 -50.59 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -50.13 -40.89 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.74 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 23' ' ' LEU . 92.1 mt -66.6 -57.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.28 -34.72 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -54.25 -45.23 72.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.07 -30.3 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.797 ' HG3' HG21 ' A' ' 27' ' ' VAL . 16.6 tt0 -51.63 -53.34 39.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -66.99 -45.1 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -51.35 -38.72 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' A' ' 30' ' ' ARG . 20.5 m-85 -77.64 -47.72 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.03 -42.32 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 13.2 mt-10 -103.23 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.49 -60.06 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.24 -23.2 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 26.5 mt-30 -74.61 -30.47 61.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.0 mtt -51.83 155.64 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.38 134.74 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 p -88.91 125.98 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -126.12 160.61 29.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.85 127.12 55.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.664 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -118.2 122.66 30.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 100.87 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.813 HD23 ' CD2' ' A' ' 28' ' ' HIS . 11.0 tp -117.15 124.28 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.76 ' O ' HG22 ' A' ' 27' ' ' VAL . 20.8 t0 -62.29 129.23 39.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 32.6 p-80 -58.8 -13.49 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -78.4 -10.14 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 24' ' ' ASP . 26.7 m -117.6 -13.74 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.813 ' CD2' HD23 ' A' ' 23' ' ' LEU . 15.8 m170 -47.55 -67.89 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.44 -53.63 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -31.56 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.472 HG22 HD13 ' A' ' 39' ' ' ILE . 59.1 mt -86.98 -37.55 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.5 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.1 -144.33 17.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.07 -65.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.475 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 43.1 ttt-85 -105.32 16.05 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.63 36.25 17.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CD ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -92.5 -51.68 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.855 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.78 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.833 HD11 HD13 ' A' ' 50' ' ' ILE . 5.8 tp -85.69 -29.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -62.12 -55.88 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -45.82 -36.97 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.27 -35.45 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.4 mtm -67.2 -54.05 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.21 -25.66 67.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 46.2 tt0 -54.46 -49.69 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -114.07 6.76 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.83 43.35 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.99 157.77 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -111.43 112.21 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.833 HD13 HD11 ' A' ' 39' ' ' ILE . 13.1 mt -94.88 130.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -124.46 112.26 16.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -79.48 153.56 76.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.19 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -70.92 174.35 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.5 p -61.16 -15.76 37.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.45 1.47 30.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.14 147.89 98.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.594 0.712 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.9 3.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -111.05 90.34 11.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.73 3.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.282 . . . . 0.0 112.32 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.25 12.16 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.97 145.51 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 m -124.45 142.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -95.64 108.32 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.2 t -101.39 123.96 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -101.7 161.95 13.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.8 163.86 11.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.439 ' CD2' ' H ' ' A' ' 68' ' ' LEU . 3.6 mm? -46.08 155.0 0.55 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -15.86 37.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.91 -29.16 16.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.06 -38.53 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.17 -48.27 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -52.95 -44.04 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -46.82 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.664 HG23 ' CG1' ' A' ' 21' ' ' VAL . 31.4 mt -54.44 -56.32 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.46 -39.16 6.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -72.83 -38.48 67.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 23' ' ' LEU . 96.9 mt -61.19 -58.59 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.38 -32.28 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -56.06 -45.12 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 76.0 mt -76.01 -27.04 57.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.558 ' HG2' HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -61.19 -45.03 96.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -46.54 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.33 -38.55 80.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 13.6 m-85 -69.53 -59.28 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.25 -44.53 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.841 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -95.71 150.52 20.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mp -54.06 -50.5 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -63.98 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.92 -42.13 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 mtt -49.04 159.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.44 131.6 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -85.78 124.54 32.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.32 159.13 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -109.18 136.41 48.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -127.15 119.25 22.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.05 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.787 HD13 HG22 ' A' ' 79' ' ' ILE . 19.2 tp -119.79 124.56 46.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.518 ' O ' HG22 ' A' ' 27' ' ' VAL . 14.1 t0 -57.24 125.42 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 56.7 p-80 -61.12 -16.25 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.77 -18.09 64.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 24' ' ' ASP . 20.0 m -117.79 -9.37 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.6 m170 -45.01 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -52.47 -52.97 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 17.8 mmm180 -41.89 -44.89 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 53.6 mt -74.55 -53.07 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 29' ' ' ALA . 60.1 mt -41.88 -52.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.25 131.4 5.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.05 -60.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -73.34 -23.57 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.47 24.05 32.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -92.96 -30.17 15.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -57.51 -34.1 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.622 HD11 HD12 ' A' ' 50' ' ' ILE . 5.9 tp -86.24 -23.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -67.83 -49.33 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.55 -48.88 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.0 mtm -55.4 -48.23 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -66.99 -35.05 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.63 -58.68 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -97.1 8.6 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 53.58 42.59 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 m -113.72 175.74 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -126.15 97.57 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.622 HD12 HD11 ' A' ' 39' ' ' ILE . 80.0 mt -82.53 131.44 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -123.84 121.67 36.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CE2' HG12 ' A' ' 32' ' ' ILE . 42.8 m-85 -88.41 154.73 51.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 116.72 4.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.622 2.215 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -74.43 179.21 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -17.1 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.9 18.18 29.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.68 143.58 33.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -37.48 8.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -115.05 92.35 30.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.546 0.688 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 13.98 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.07 145.51 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.7 m -120.52 156.56 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -115.54 108.57 16.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.77 139.05 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -115.56 146.94 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.89 175.08 13.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.0 mm? -55.33 153.88 12.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.94 33.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.5 -31.47 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -89.46 -43.11 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 68' ' ' LEU . 79.7 t -54.69 -49.85 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -52.21 -41.51 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.82 -49.32 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.07 -53.85 37.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.53 HG23 ' CG1' ' A' ' 21' ' ' VAL . 96.4 mt -43.11 -55.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -48.83 -35.65 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -73.01 -38.61 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.787 HG22 HD13 ' A' ' 23' ' ' LEU . 33.9 mt -64.45 -60.88 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD23 ' OE1' ' A' ' 83' ' ' GLU . 11.7 mt -54.79 -35.82 64.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -54.22 -46.0 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.6 mt -70.91 -40.27 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.526 ' OE1' HD23 ' A' ' 80' ' ' LEU . 8.4 tt0 -40.12 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.74 -42.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.602 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 5.2 tp10 -59.73 -57.65 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 32.6 m-85 -53.22 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.45 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 13.2 mt -47.58 -36.36 10.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 3.3 mm-40 -105.38 143.8 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.9 -64.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.84 -19.56 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.478 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 19.8 mt-30 -80.78 -24.2 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.54 154.92 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.28 136.05 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 m -91.83 140.13 29.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.98 154.84 47.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.28 118.53 36.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.529 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.7 t -114.96 120.51 37.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.25 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.977 HD21 HD12 ' A' ' 31' ' ' ILE . 16.7 tp -120.83 109.23 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 27' ' ' VAL . 20.6 t0 -47.54 153.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -77.51 -26.65 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -68.52 -4.69 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG21 ' HG3' ' A' ' 83' ' ' GLU . 21.1 m -124.51 -6.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.7 m170 -52.48 -68.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.88 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 15.8 mmt180 -52.41 -32.67 40.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.977 HD12 HD21 ' A' ' 23' ' ' LEU . 84.6 mt -90.16 -51.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.5 mt -44.97 -46.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.64 167.49 26.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 -53.24 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 7.87 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.53 32.16 8.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' ARG . 41.6 tttt -94.3 -53.44 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -39.39 -33.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.005 HD11 HD12 ' A' ' 50' ' ' ILE . 3.2 tp -89.81 -30.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.8 tpt85 -56.31 -37.06 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 17.3 ptpt -71.46 -38.33 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.447 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -66.3 -44.77 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' LYS . 13.2 mtm -57.2 -56.45 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.13 -32.5 73.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 36.0 tt0 -46.35 -52.77 12.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -116.11 7.34 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' MET . 0.2 OUTLIER 62.61 40.93 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.899 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.45 154.49 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.41 100.92 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.005 HD12 HD11 ' A' ' 39' ' ' ILE . 35.7 mt -80.2 117.91 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.62 110.86 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 32' ' ' ILE . 75.2 m-85 -80.0 152.97 74.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.71 11.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.64 -178.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -66.75 -22.39 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.87 21.79 11.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.01 153.2 92.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.581 0.705 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.81 29.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.24 89.74 27.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.61 4.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -123.29 8.55 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 t -124.09 144.44 49.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -121.43 148.19 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.7 m -104.06 100.51 10.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.5 t -90.07 118.6 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -94.02 156.92 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.23 167.24 12.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.4 mm? -50.55 154.84 2.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.65 37.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.24 -26.13 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -91.38 -45.23 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 68' ' ' LEU . 77.8 t -52.71 -56.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.517 ' HA ' HD12 ' A' ' 76' ' ' ILE . 14.0 pt-20 -43.42 -48.7 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.9 81.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.529 HG23 ' CG1' ' A' ' 21' ' ' VAL . 49.6 mt -51.73 -57.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -45.83 -38.11 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -72.32 -40.78 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.648 HG22 HD13 ' A' ' 23' ' ' LEU . 81.9 mt -61.72 -58.17 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.15 -31.88 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 1.7 t30 -57.62 -46.95 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.49 -28.95 59.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.579 ' HG3' HG21 ' A' ' 27' ' ' VAL . 7.1 tt0 -55.1 -43.96 74.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.43 -47.15 71.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.43 -50.99 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 34.8 m-85 -60.75 -53.37 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -52.03 -42.35 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.804 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -99.58 153.67 18.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.03 -47.94 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.64 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.02 -16.14 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.7 mtt -68.82 156.11 38.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.61 152.02 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 p -103.28 122.17 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.49 164.3 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.59 125.74 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.635 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -118.57 124.28 28.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 100.32 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD13 ' CG2' ' A' ' 79' ' ' ILE . 21.1 tp -120.8 123.44 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.514 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 29.8 t0 -55.18 137.18 47.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.518 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 14.9 p80 -75.82 -17.29 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -71.45 -18.69 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.55 12.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.547 ' CD2' HD23 ' A' ' 23' ' ' LEU . 10.3 m170 -66.78 -61.03 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -61.49 -27.79 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.16 -46.08 68.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 59.6 mt -75.93 -37.98 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 29' ' ' ALA . 44.9 mt -49.86 -53.15 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.1 153.35 24.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.48 -66.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -103.16 24.88 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.64 38.66 61.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.8 mmmt -90.87 -55.21 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -45.54 -32.65 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.412 HD11 ' CD1' ' A' ' 50' ' ' ILE . 10.5 tp -89.02 -21.66 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LYS . 13.1 tpp85 -66.03 -45.85 79.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -59.79 -38.11 80.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.92 -43.06 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LYS . 22.2 mtm -64.29 -54.16 37.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.12 -52.78 63.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -105.8 3.91 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' MET . 28.6 mmtt 61.17 53.03 3.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.38 162.72 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -114.82 101.18 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.412 ' CD1' HD11 ' A' ' 39' ' ' ILE . 27.1 mt -83.32 144.62 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -131.33 120.63 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -88.92 158.1 47.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.09 4.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' SER . 51.8 mm-40 -70.91 164.4 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' GLN . 7.4 t -38.01 -58.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.49 44.63 3.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.65 144.35 27.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.592 0.71 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -43.68 2.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -115.6 91.0 27.96 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.69 10.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.66 14.21 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.18 139.98 52.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 63' ' ' VAL . 19.9 m -120.38 126.02 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -84.65 107.18 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -95.99 135.07 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -110.85 153.78 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.97 167.7 12.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.854 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.0 mm? -44.77 150.85 0.66 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.21 34.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.94 -27.51 24.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -87.67 -46.76 9.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 68' ' ' LEU . 93.2 t -47.49 -54.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -46.22 -47.41 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -60.05 -42.31 94.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.53 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.635 HG23 ' CG1' ' A' ' 21' ' ' VAL . 76.9 mt -46.99 -56.84 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -46.99 -36.45 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -74.22 -32.56 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.555 ' CG2' HD13 ' A' ' 23' ' ' LEU . 71.8 mt -70.11 -59.64 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.58 -29.95 62.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.16 -52.57 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLU . 88.8 mt -61.85 -48.15 81.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.64 ' OE1' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -35.03 -52.31 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.17 -43.9 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' LEU . 9.4 mt-10 -59.49 -36.63 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.84 -54.18 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.64 HD12 ' OE1' ' A' ' 83' ' ' GLU . 49.0 mt -57.18 -34.28 68.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.796 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -100.79 155.76 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.18 -63.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -45.96 -39.02 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.45 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.2 mtt -52.21 151.14 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.24 137.54 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 p -90.11 118.18 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -116.69 156.8 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.67 119.74 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.1 t -112.18 119.02 44.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.616 0.722 . . . . 0.0 111.18 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 101.82 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.744 HD23 ' CD2' ' A' ' 28' ' ' HIS . 11.2 tp -119.28 128.62 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.718 ' O ' HG22 ' A' ' 27' ' ' VAL . 32.1 t0 -66.73 137.03 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -63.18 -11.83 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt-85 -78.03 -5.87 52.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 24' ' ' ASP . 32.6 m -123.47 -24.56 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.744 ' CD2' HD23 ' A' ' 23' ' ' LEU . 12.4 m170 -34.43 -65.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.22 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB3' ' CG ' ' A' ' 86' ' ' TYR . 32.7 mmt180 -47.92 -28.57 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.647 HD12 HD21 ' A' ' 23' ' ' LEU . 74.5 mt -93.68 -49.51 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.5 -48.9 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.31 -149.96 19.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.6 -64.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.44 21.26 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.47 22.32 67.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -84.64 -30.79 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.72 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.785 HD11 HD13 ' A' ' 50' ' ' ILE . 3.4 tp -75.89 -36.37 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.68 -28.92 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -61.41 -54.58 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -61.07 -41.52 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.2 mtm -57.15 -42.19 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.27 -29.46 42.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.42 -52.09 55.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -114.15 6.57 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.45 44.75 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.4 163.63 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.46 109.7 17.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.785 HD13 HD11 ' A' ' 39' ' ' ILE . 15.3 mt -89.91 117.79 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 112.2 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -82.58 150.2 62.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 127.69 14.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -83.04 163.56 20.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -46.34 -26.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.56 32.61 7.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.97 149.34 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -31.75 20.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.371 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.45 90.29 51.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -4.8 14.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -118.87 14.22 13.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.41 140.22 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 m -118.29 141.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.6 m -100.66 106.33 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -95.19 137.23 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -114.31 145.86 41.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . 140.64 161.61 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.543 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.8 mm? -37.67 152.57 0.13 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.702 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.41 31.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -88.24 -26.37 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.51 -34.52 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.4 t -66.03 -49.74 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -50.28 -39.37 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -71.74 -38.87 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.4 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.53 HG23 ' CG1' ' A' ' 21' ' ' VAL . 85.2 mt -50.02 -55.35 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -48.75 -38.77 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.415 ' NE2' HD11 ' A' ' 82' ' ' LEU . 4.8 t60 -69.76 -35.54 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 HD13 ' A' ' 23' ' ' LEU . 79.5 mt -65.57 -52.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.67 -30.71 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -59.65 -45.54 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.415 HD11 ' NE2' ' A' ' 78' ' ' HIS . 44.3 mt -78.42 -30.14 47.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.419 ' HG3' HG21 ' A' ' 27' ' ' VAL . 12.9 tt0 -51.41 -44.4 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -73.85 -49.54 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.9 -39.39 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.448 ' CG ' ' HB3' ' A' ' 30' ' ' ARG . 17.5 m-85 -74.23 -48.37 29.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.09 -37.78 35.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.822 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.92 156.15 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.74 -57.18 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.22 -40.62 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.21 -36.56 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.1 mtt -52.53 152.36 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -130.37 141.91 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 p -96.57 118.58 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -115.32 141.78 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.28 110.49 22.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.702 HG13 HG23 ' A' ' 76' ' ' ILE . 2.9 t -100.86 119.66 57.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 98.98 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.743 HD13 HG22 ' A' ' 79' ' ' ILE . 20.4 tp -121.04 124.41 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 39.7 t0 -62.32 143.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.468 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 39.9 t-80 -73.04 -10.96 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -77.29 -13.45 59.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 ' HG3' ' A' ' 83' ' ' GLU . 27.7 m -119.53 -9.35 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 20.3 m170 -50.75 -71.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -40.39 58.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -54.26 -44.36 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' CD1' HD21 ' A' ' 23' ' ' LEU . 30.1 mt -75.86 -37.6 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.617 HD11 ' CD2' ' A' ' 52' ' ' PHE . 84.6 mt -69.02 -28.13 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.97 -115.27 2.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.54 -174.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -51.9 -16.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 158.22 33.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' ARG . 39.6 ttmt -94.83 -58.63 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.58 -32.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 tp -88.92 -26.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LYS . 3.0 tpm_? -63.97 -50.21 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 28.3 pttt -53.03 -39.3 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -65.63 -40.51 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.2 mtm -60.87 -58.12 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.81 -35.62 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -49.61 -55.57 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.35 10.11 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 54.99 38.11 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.51 -178.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -132.45 102.05 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 mt -93.8 110.65 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -107.14 110.34 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CD2' HD11 ' A' ' 32' ' ' ILE . 51.6 m-85 -74.7 149.56 85.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.666 0.746 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.86 9.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.281 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.93 -178.16 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.2 p -53.44 -47.78 69.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.03 44.01 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 146.29 32.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.569 0.7 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -31.52 20.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.748 2.299 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.3 m-20 -129.18 92.78 38.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.3 Cg_endo -69.73 -2.83 10.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -121.36 12.73 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.2 t -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 21' ' ' VAL . 35.3 m -114.61 155.82 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -109.9 108.94 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.37 121.15 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -99.53 158.25 15.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.22 170.87 12.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.7 mm? -55.03 155.01 9.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.15 37.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.62 -27.26 23.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.71 -38.07 12.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 68' ' ' LEU . 98.0 t -61.31 -55.77 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 26.0 pt-20 -39.6 -46.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 21.2 mt-10 -66.75 -46.68 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.29 73.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.702 HG23 HG13 ' A' ' 21' ' ' VAL . 12.8 mt -51.43 -49.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -53.72 -47.57 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 82' ' ' LEU . 24.9 t60 -59.87 -38.23 81.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.743 HG22 HD13 ' A' ' 23' ' ' LEU . 75.3 mt -62.03 -58.48 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.8 -32.64 69.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -57.13 -50.52 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 78' ' ' HIS . 20.2 mt -66.15 -47.39 74.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.677 ' HG3' HG21 ' A' ' 27' ' ' VAL . 26.8 tt0 -39.46 -53.21 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.69 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.3 -43.79 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -75.76 -44.08 43.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.9 mt -50.6 -48.18 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -102.43 141.83 34.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -58.5 108.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.06 -154.57 52.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -39.18 135.63 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -101.58 -49.03 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.47 177.34 22.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.9 mmt85 -74.26 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.407 HG23 ' O ' ' A' ' 8' ' ' ARG . 1.8 pp -155.54 175.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 65.3 t -102.0 -34.65 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.51 -171.68 29.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -102.3 147.77 26.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -51.47 -59.04 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.66 -37.64 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.25 -29.89 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.1 mtt -59.54 151.85 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -127.94 134.04 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.6 p -85.24 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -126.95 161.5 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.06 118.43 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.741 HG13 HG23 ' A' ' 76' ' ' ILE . 2.4 t -110.24 122.17 39.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 101.64 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.41 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD13 HG22 ' A' ' 79' ' ' ILE . 16.3 tp -120.79 130.29 53.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.24 141.86 54.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.08 -14.0 62.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -78.55 -15.48 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 83' ' ' GLU . 19.5 m -118.65 7.55 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -69.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -53.95 -49.71 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -44.87 -37.98 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 65.9 mt -83.8 -45.91 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 29' ' ' ALA . 20.2 mt -52.73 -38.14 26.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -154.0 21.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.12 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -108.4 23.95 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.52 32.37 34.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -90.04 -52.8 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -47.29 -31.67 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.613 HD11 ' CD1' ' A' ' 50' ' ' ILE . 10.0 tp -91.16 -18.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -70.56 -40.56 73.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -67.15 -35.42 79.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.2 mt -67.95 -42.01 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.2 mtm -61.34 -54.97 36.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.09 -34.12 73.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -51.72 -55.5 19.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.85 4.43 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' MET . 36.3 mmtt 57.98 43.36 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.69 175.31 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.1 97.12 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.613 ' CD1' HD11 ' A' ' 39' ' ' ILE . 84.9 mt -80.18 126.46 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -117.68 101.48 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -70.39 150.25 95.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD3' HG12 ' A' ' 63' ' ' VAL . 53.2 Cg_endo -69.81 126.84 13.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.419 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 13.5 pt20 -73.99 167.78 20.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.9 m -47.93 -51.42 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 21.16 11.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -74.38 147.69 85.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.579 0.705 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.2 27.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -133.77 89.81 29.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -0.58 7.12 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.07 10.88 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 t -128.24 140.43 51.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.412 HG12 ' HD3' ' A' ' 53' ' ' PRO . 12.4 m -121.4 133.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 m -91.44 113.01 25.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 50' ' ' ILE . 86.0 t -105.03 131.5 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 157.64 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.71 166.96 11.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.462 ' CD2' ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -46.57 153.52 0.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.48 36.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.54 -30.54 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -86.42 -41.72 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -54.22 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 14.9 pt-20 -45.04 -47.47 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 7.5 mm-40 -62.19 -43.08 99.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.64 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.741 HG23 HG13 ' A' ' 21' ' ' VAL . 56.8 mt -53.63 -58.98 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -46.32 -36.15 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -74.31 -32.14 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.574 HG22 HD13 ' A' ' 23' ' ' LEU . 92.0 mt -68.1 -57.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -56.08 -32.8 64.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -71.06 -29.82 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.621 ' HG3' HG21 ' A' ' 27' ' ' VAL . 23.2 tt0 -55.9 -57.25 12.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -57.42 -61.25 2.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -40.07 -53.04 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -61.97 -54.81 36.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.4 mt -45.26 -48.71 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . -37.17 -34.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -104.05 67.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.0 p -131.4 93.73 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -112.44 146.86 18.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 97.21 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.373 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 97.1 p -59.88 159.64 8.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.7 t -55.92 -49.03 74.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -88.27 117.37 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 m -110.38 170.95 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.67 -162.89 11.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.548 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -127.15 98.74 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -128.18 151.85 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -166.13 83.7 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -34.78 144.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.909 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.98 -176.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.2 t -104.33 -40.35 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.29 -164.66 42.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -107.1 142.16 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 mp -48.72 -66.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -42.89 -46.03 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.05 -37.15 71.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.0 mtt -52.04 150.52 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -129.42 144.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -95.85 128.18 42.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -125.02 160.97 27.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.15 114.08 25.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.637 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.3 t -110.34 121.18 42.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 ' CG2' ' A' ' 79' ' ' ILE . 23.7 tp -118.35 123.29 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 27' ' ' VAL . 37.9 t0 -59.76 127.17 30.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 0.8 OUTLIER -59.33 -24.65 63.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 mmp_? -62.72 -18.0 61.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 24' ' ' ASP . 17.5 m -117.09 -15.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.4 m170 -40.06 -70.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.857 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -54.19 -49.74 68.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -46.3 -33.35 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.583 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 75.6 mt -87.48 -46.17 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.857 HD12 ' HA ' ' A' ' 29' ' ' ALA . 22.0 mt -47.78 -50.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.54 158.33 33.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.09 -55.89 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -96.75 21.63 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.08 30.59 64.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -88.01 -44.15 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -49.97 -35.25 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 tp -89.74 -23.0 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -64.69 -41.05 96.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.31 -34.7 78.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.44 -46.06 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.37 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.43 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -55.63 -57.39 12.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.517 ' O ' HG13 ' A' ' 48' ' ' VAL . 36.9 m-85 -99.72 12.11 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt 47.86 47.66 18.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 46' ' ' PHE . 32.4 m -120.5 165.95 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.37 99.53 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.4 mt -82.89 110.43 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -104.0 106.27 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.46 154.06 85.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.09 9.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -73.81 174.33 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -51.89 -42.32 62.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 43.06 2.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.94 148.27 34.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.47 25.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.74 89.6 45.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -2.94 11.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -119.75 9.4 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.9 t -123.13 137.01 55.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.12 141.72 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.8 m -100.01 101.08 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.26 129.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -106.83 157.75 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.99 168.66 12.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.8 mm? -48.78 151.55 2.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.79 37.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -87.01 -27.45 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -90.25 -39.26 12.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.3 t -56.03 -53.96 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.82 -44.72 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -64.84 -42.62 94.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -55.03 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.637 HG23 ' CG1' ' A' ' 21' ' ' VAL . 83.9 mt -45.52 -57.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -44.26 -38.92 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -71.74 -37.91 70.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.793 ' CG2' HD13 ' A' ' 23' ' ' LEU . 93.2 mt -62.69 -55.36 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.49 -44.39 76.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 53.3 mt -76.98 -40.51 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -41.13 -44.74 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.31 -69.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.8 tp10 -42.52 -57.89 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 82' ' ' LEU . 5.4 m-85 -45.26 -54.75 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.441 HD21 ' OD2' ' A' ' 24' ' ' ASP . 14.9 mt -52.93 -45.96 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . -42.05 -32.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.93 39.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 87' ' ' LEU . 68.0 m -38.15 -41.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.57 -159.61 8.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 118.31 5.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m -51.53 153.14 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.3 t -115.52 -46.09 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -111.85 -48.87 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.927 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 p -69.75 112.67 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.33 104.45 2.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -40.49 120.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.821 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -148.66 144.18 26.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.34 92.16 0.45 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 9' ' ' ILE . 16.6 mmt-85 -89.27 178.3 6.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 8' ' ' ARG . 1.8 pp -157.56 179.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -102.04 -39.17 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.92 -179.09 33.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.15 150.87 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.29 -66.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -47.85 -43.18 28.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -53.66 -31.67 48.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.56 154.03 18.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.78 144.37 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.8 p -95.81 133.5 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.7 ' CD ' HG11 ' A' ' 72' ' ' VAL . 23.0 mt-10 -133.71 140.48 47.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -94.95 115.92 28.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.644 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.1 t -108.83 121.69 42.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.37 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.594 HD13 ' CG2' ' A' ' 79' ' ' ILE . 15.4 tp -120.37 124.62 45.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -64.22 140.55 58.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -66.5 -12.0 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -74.01 -29.85 62.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.23 -16.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -43.12 -63.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.11 -53.68 55.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -42.37 -37.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 HD21 ' A' ' 23' ' ' LEU . 97.5 mt -83.2 -51.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.8 mt -43.14 -52.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 93.09 127.02 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -34.17 -58.2 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.93 -28.07 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.28 22.07 23.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -29.45 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -56.98 -28.55 62.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 tp -89.66 -20.16 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -73.01 -46.02 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -58.64 -35.58 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.75 -47.6 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 mtm -58.73 -44.78 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.55 -37.05 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -50.91 -55.9 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -96.46 0.57 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 63.42 36.18 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.08 173.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -126.93 93.45 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mt -80.55 135.87 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -128.38 114.76 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -78.87 151.25 76.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.672 0.749 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.27 2.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -59.14 176.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.7 p -53.86 -51.83 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.58 36.08 3.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.39 146.51 34.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -33.58 16.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.75 89.72 52.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.14 15.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.56 12.47 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -127.61 141.79 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.61 133.45 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.6 m -89.23 107.32 18.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -98.93 123.55 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -104.52 161.5 14.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.47 168.84 12.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -47.14 151.53 1.2 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -19.38 36.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -84.39 -30.84 25.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -85.94 -39.18 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.7 HG11 ' CD ' ' A' ' 19' ' ' GLU . 20.4 t -59.07 -51.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -46.37 -39.87 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.68 -50.1 22.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.33 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.644 HG23 ' CG1' ' A' ' 21' ' ' VAL . 48.9 mt -50.3 -52.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -53.47 -42.76 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -65.89 -30.16 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.594 ' CG2' HD13 ' A' ' 23' ' ' LEU . 97.0 mt -68.94 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' OE1' ' A' ' 83' ' ' GLU . 10.6 mt -53.83 -25.0 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.18 -47.58 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.77 -36.09 62.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' OE1' HD23 ' A' ' 80' ' ' LEU . 10.2 tt0 -51.08 -40.57 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -71.54 -44.4 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.91 -49.06 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.36 -49.31 64.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.49 -36.05 61.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -23.65 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -99.64 59.81 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 t -112.92 41.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.0 147.82 12.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 120.49 7.27 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.375 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.9 p -128.65 89.31 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.4 t -64.7 123.52 19.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.417 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -112.05 159.68 18.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.811 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -116.71 143.9 45.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.37 171.33 44.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -108.37 151.86 25.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -118.92 125.5 49.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.79 60.21 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.727 ' O ' HG23 ' A' ' 9' ' ' ILE . 7.4 mmp_? -83.91 163.3 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 8' ' ' ARG . 4.9 pt -165.17 174.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 t -108.15 -38.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.27 -170.99 30.56 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.11 137.9 45.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 mt -41.25 -53.44 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.81 -41.92 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -58.84 -33.09 70.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.0 mtt -58.98 154.3 15.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 67' ' ' GLY . 19.7 m -124.14 139.14 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -97.06 109.59 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -105.72 162.69 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.83 113.99 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.644 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.0 t -105.54 122.05 44.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.07 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.628 2.219 . . . . 0.0 112.33 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD21 HD12 ' A' ' 31' ' ' ILE . 13.7 tp -117.22 123.93 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -55.08 151.58 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -78.45 -13.55 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -79.14 -28.15 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 m -101.46 -9.59 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.521 ' CE1' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -47.88 -71.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.68 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -53.39 -37.58 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.711 HD12 HD21 ' A' ' 23' ' ' LEU . 65.4 mt -86.08 -48.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -45.12 -50.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.83 175.37 26.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.36 -59.04 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -106.34 15.68 25.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.51 27.62 50.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -88.57 -48.04 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.19 -41.77 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 50' ' ' ILE . 7.5 tp -77.59 -27.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.04 -53.99 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -55.88 -30.23 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 91.2 mt -73.1 -40.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.1 mtm -66.42 -55.19 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.25 -35.7 74.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -50.8 -54.2 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -103.21 5.0 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' MET . 25.6 mmtm 57.44 45.59 19.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.5 m -119.26 156.35 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -109.37 100.06 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.553 ' CD1' HD11 ' A' ' 39' ' ' ILE . 62.5 mt -84.27 129.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -119.4 111.31 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.27 155.36 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 121.99 8.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -66.86 176.46 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.5 p -59.32 -29.21 67.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.92 26.53 17.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.5 147.47 63.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.02 26.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -127.2 89.6 51.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.852 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.4 Cg_endo -69.77 -1.95 9.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -122.03 12.53 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.9 t -127.59 144.44 51.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.8 m -123.92 146.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.7 m -103.32 101.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 50' ' ' ILE . 99.7 t -93.46 124.11 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.03 155.26 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 17' ' ' VAL . . . 133.66 165.81 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.9 mm? -46.82 153.08 0.85 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -17.73 37.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -86.04 -33.36 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -86.07 -46.55 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -49.49 -46.19 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -56.43 -42.45 78.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 5.9 mm-40 -65.86 -39.78 91.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.54 -53.99 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.644 HG23 ' CG1' ' A' ' 21' ' ' VAL . 71.2 mt -44.54 -55.11 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -45.65 -44.66 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.57 -35.43 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.621 ' CG2' HD13 ' A' ' 23' ' ' LEU . 96.9 mt -66.28 -55.2 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.83 -34.68 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.22 -44.64 79.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.1 mt -75.58 -29.27 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.6 -46.94 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -70.83 -55.58 8.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -42.72 -44.58 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -73.44 -52.44 13.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -46.4 -42.5 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -39.8 -33.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.64 48.36 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.3 p -54.95 -44.56 74.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.24 146.41 18.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 124.99 11.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.741 2.294 . . . . 0.0 112.31 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 t -117.97 139.17 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.4 p -69.99 166.03 20.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -130.01 129.19 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 t -130.43 139.07 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.6 48.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -47.9 123.74 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -41.71 -44.33 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.42 145.27 2.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.646 ' O ' HG23 ' A' ' 9' ' ' ILE . 2.2 mmp_? -83.5 159.82 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 8' ' ' ARG . 2.4 pp -161.9 168.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.1 t -104.37 -45.79 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.44 -172.71 25.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.23 144.42 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.5 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.82 -16.66 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -85.53 -27.43 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.09 161.67 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.78 140.08 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -96.16 119.49 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.37 160.09 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -109.39 117.33 33.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -111.92 120.29 42.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 102.32 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.643 HD21 HD12 ' A' ' 31' ' ' ILE . 21.0 tp -116.89 123.54 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.669 ' O ' HG22 ' A' ' 27' ' ' VAL . 34.7 t0 -57.92 125.53 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -58.42 -16.21 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -75.22 -18.86 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 24' ' ' ASP . 22.3 m -110.33 -19.72 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -37.28 -70.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.77 -46.64 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -48.55 -40.52 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.643 HD12 HD21 ' A' ' 23' ' ' LEU . 41.3 mt -80.26 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -42.98 -50.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 89.55 134.27 5.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -37.12 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -13.35 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.77 32.1 30.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -94.52 -31.71 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.4 tp -83.31 -22.12 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.72 -49.39 53.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 54.6 pttt -58.87 -43.24 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 81.6 mt -58.89 -44.1 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.6 mtm -63.26 -54.77 32.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -58.91 -38.27 78.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -49.17 -57.04 7.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -98.77 3.95 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 22.9 mmtp 58.6 42.46 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.26 164.92 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -115.65 96.94 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.417 HG12 HG22 ' A' ' 65' ' ' VAL . 82.6 mt -80.55 118.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.58 114.1 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -82.3 153.96 69.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.44 3.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 8.1 pt20 -58.42 177.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -54.76 -55.33 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.18 21.49 10.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -67.29 146.87 98.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.69 20.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -131.05 89.74 41.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -1.51 8.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.94 10.32 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.95 139.18 52.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 m -115.9 130.5 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.8 m -90.11 103.0 15.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.417 HG22 HG12 ' A' ' 50' ' ' ILE . 88.2 t -94.13 132.02 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.51 159.07 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.78 164.92 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -47.61 152.85 1.15 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 -17.91 37.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.19 -30.92 30.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.27 -44.0 10.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 68' ' ' LEU . 26.0 t -49.31 -48.34 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.53 -47.84 66.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.95 -43.5 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.49 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.438 HG23 ' CG1' ' A' ' 21' ' ' VAL . 53.3 mt -45.78 -57.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -42.8 -47.21 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -64.01 -39.22 93.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.536 HG22 HD13 ' A' ' 23' ' ' LEU . 98.6 mt -61.09 -58.08 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.2 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.22 -45.97 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.28 -32.85 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' A' ' 27' ' ' VAL . 19.4 tt0 -56.56 -60.83 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -32.77 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.67 -39.49 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.98 -52.06 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.93 -33.62 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.91 -21.19 63.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -84.21 40.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.8 t 45.16 39.58 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.86 -159.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 142.18 47.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.0 m 69.22 36.46 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 m -124.7 103.81 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -76.55 172.61 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -82.57 162.69 21.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.38 159.21 22.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -139.24 145.28 39.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -82.77 99.13 9.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.92 -155.98 31.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.556 ' O ' HG23 ' A' ' 9' ' ' ILE . 18.4 mmt-85 -87.76 164.68 15.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.641 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.4 pp -159.62 161.59 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.21 -35.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.11 -172.62 55.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -96.43 143.38 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.32 -58.66 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.64 -35.72 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -66.92 -27.97 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtt -57.62 149.3 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.22 147.09 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m -107.56 117.95 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -114.52 161.06 18.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 121.95 45.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -115.58 120.12 36.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 104.15 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.384 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD23 ' HE1' ' A' ' 52' ' ' PHE . 44.2 tp -120.41 131.74 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.16 145.76 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -78.17 -16.25 58.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -76.9 -20.15 56.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.83 10.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -69.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.05 -37.96 62.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -56.99 -43.49 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.77 -44.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.469 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.7 mt -52.19 -49.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.19 127.03 4.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.43 -58.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -74.81 -28.21 60.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.57 16.81 38.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.482 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 14.0 tptm -87.81 -40.45 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.35 -62.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.676 HD11 HD12 ' A' ' 50' ' ' ILE . 6.6 tp -53.88 -26.43 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 5.4 tpp180 -61.87 -32.29 72.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -61.23 -50.8 71.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.6 mt -68.21 -39.98 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.86 -45.07 95.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -36.58 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.75 -54.17 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -98.99 2.43 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm 57.91 40.06 26.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -112.02 163.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -117.93 101.91 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.676 HD12 HD11 ' A' ' 39' ' ' ILE . 56.7 mt -84.72 106.38 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -95.87 106.82 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE2' HG12 ' A' ' 32' ' ' ILE . 59.2 m-85 -72.74 150.48 90.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.15 4.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.622 ' HG2' ' HB2' ' A' ' 57' ' ' ALA . 7.1 pt20 -53.09 -177.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.6 m -65.32 -48.19 73.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.65 19.37 33.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 54' ' ' GLN . . . -68.95 148.61 97.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.87 23.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.82 89.73 38.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -118.52 14.04 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t -128.08 138.69 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 21' ' ' VAL . 34.6 m -120.82 147.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.1 m -101.22 99.8 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.5 t -90.16 120.17 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -98.7 157.61 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.82 169.97 12.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.9 mm? -53.73 156.1 5.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -11.99 32.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.51 -33.17 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -86.2 -40.11 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 68' ' ' LEU . 53.4 t -57.72 -54.24 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -47.36 -46.4 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.69 79.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG23 ' CG1' ' A' ' 21' ' ' VAL . 77.6 mt -48.91 -58.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -42.66 -44.51 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.558 ' NE2' HD11 ' A' ' 82' ' ' LEU . 4.2 t60 -66.78 -44.68 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.74 -60.55 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -54.27 -38.54 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -55.56 -50.04 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.558 HD11 ' NE2' ' A' ' 78' ' ' HIS . 66.8 mt -64.64 -34.21 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.01 -57.86 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.34 -37.41 85.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.19 -47.32 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -71.5 -47.15 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.4 mt -47.25 -43.15 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.08 -30.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.98 53.29 2.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.6 t -49.27 -44.82 44.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.3 -164.63 11.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -15.59 36.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.351 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t -86.68 151.51 23.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 p -141.37 132.72 26.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -105.08 96.92 6.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.3 m -61.48 103.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.76 -104.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -129.45 177.19 7.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -112.84 164.45 13.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.81 110.85 2.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -91.42 171.71 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -149.58 -178.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.1 t -104.35 -27.59 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.17 -171.16 17.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -104.81 149.92 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -50.96 -42.4 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -55.42 -39.96 70.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mtt -48.51 156.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.04 139.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 p -87.63 135.8 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HB2' HG11 ' A' ' 72' ' ' VAL . 6.4 mt-10 -134.24 142.34 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.19 120.3 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.6 t -113.46 119.82 41.02 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.85 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.779 HD21 HD12 ' A' ' 31' ' ' ILE . 13.8 tp -120.94 131.83 54.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' O ' HG22 ' A' ' 27' ' ' VAL . 7.7 t0 -69.94 142.05 52.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -69.37 -13.26 62.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -75.26 -15.42 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG21 ' HG3' ' A' ' 83' ' ' GLU . 23.7 m -117.77 -13.81 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.22 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.72 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -53.15 -31.42 42.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.779 HD12 HD21 ' A' ' 23' ' ' LEU . 80.1 mt -90.39 -38.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.6 -38.53 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.25 -153.32 23.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.34 -73.51 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -91.81 15.36 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.23 34.12 27.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.02 -49.79 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.31 -29.17 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 50' ' ' ILE . 11.0 tp -93.18 -21.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.92 -48.08 72.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -58.8 -37.22 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.91 -44.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 mtm -61.53 -55.43 31.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.15 -35.98 76.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -50.94 -53.09 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -103.06 12.01 36.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 50.25 49.49 20.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.57 176.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -131.25 100.61 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.5 HD13 HD11 ' A' ' 39' ' ' ILE . 13.8 mt -82.86 138.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 52' ' ' PHE . 2.0 tmm_? -123.8 120.44 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' N ' ' HD2' ' A' ' 51' ' ' ARG . 54.0 m-85 -90.59 149.68 41.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 126.51 13.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.276 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 20.9 pt20 -72.16 168.38 18.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.4 m -50.41 -51.2 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.08 5.64 53.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 54' ' ' GLN . . . -65.38 147.05 98.86 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.91 2.95 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -115.61 89.23 22.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -0.04 6.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.63 13.1 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.94 138.49 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.95 152.36 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -109.61 108.04 18.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 50' ' ' ILE . 77.2 t -98.61 124.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -99.51 158.35 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.1 166.11 12.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.6 mm? -42.64 153.42 0.32 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.98 30.09 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -29.66 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -82.52 -38.17 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 68' ' ' LEU . 76.2 t -63.19 -47.82 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 6.4 pt-20 -52.75 -38.09 60.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 44.6 mt-10 -71.85 -39.05 69.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.11 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.47 HG23 ' CG1' ' A' ' 21' ' ' VAL . 39.5 mt -46.26 -54.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -42.94 -40.21 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.427 ' NE2' HD11 ' A' ' 82' ' ' LEU . 7.0 t60 -71.93 -44.99 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.732 HG22 HD13 ' A' ' 23' ' ' LEU . 66.4 mt -56.59 -52.82 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.618 HD23 ' OE1' ' A' ' 83' ' ' GLU . 11.8 mt -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.57 -49.08 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD11 ' NE2' ' A' ' 78' ' ' HIS . 28.0 mt -70.52 -29.01 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.618 ' OE1' HD23 ' A' ' 80' ' ' LEU . 30.8 tt0 -53.44 -44.34 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -73.2 -47.34 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -54.24 -58.95 5.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -56.13 -51.83 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.41 -41.94 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.67 -25.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -95.49 56.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.2 t -86.47 -44.79 11.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -123.83 -160.91 10.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 110.14 2.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.2 p -86.48 -54.54 4.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.4 m -46.93 155.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -142.0 160.11 40.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 p -168.0 107.08 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.9 87.38 1.63 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -78.36 156.56 29.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -147.09 156.7 43.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.33 130.15 2.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' ILE . 9.7 mmm-85 -51.56 170.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.407 HG23 ' O ' ' A' ' 8' ' ' ARG . 1.4 pp -156.69 174.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.13 -45.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.26 -167.54 23.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.43 147.66 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -49.15 -60.95 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -53.16 -46.51 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -50.44 -43.14 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.1 mtt -47.42 160.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.64 138.62 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 p -88.84 121.82 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.529 ' HB2' HG11 ' A' ' 72' ' ' VAL . 6.4 mm-40 -118.33 157.27 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -107.71 120.01 41.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG13 HG23 ' A' ' 76' ' ' ILE . 2.3 t -115.15 120.16 37.33 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.637 0.732 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 103.05 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD13 ' CG2' ' A' ' 79' ' ' ILE . 20.9 tp -119.05 115.58 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.8 t0 -50.86 136.94 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 2.9 t-80 -70.14 -16.46 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -73.89 -19.07 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 24' ' ' ASP . 7.4 m -113.44 -14.12 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 8.8 m170 -36.94 -59.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -56.75 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -38.97 -34.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.487 HD12 HD21 ' A' ' 23' ' ' LEU . 84.8 mt -87.68 -50.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.75 -42.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.74 -170.64 26.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.14 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.74 13.17 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.95 35.77 17.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -94.69 -49.16 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -47.78 -31.67 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 50' ' ' ILE . 8.5 tp -88.11 -24.15 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -64.92 -43.44 92.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -61.78 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.28 -40.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.9 mtm -64.36 -56.04 17.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.54 -33.71 73.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.37 -55.99 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -105.11 7.98 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 67.1 mmtt 57.1 43.86 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.91 162.72 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -114.03 112.87 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' A' ' 39' ' ' ILE . 88.7 mt -94.63 109.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -101.51 109.3 21.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.553 ' HE2' HD23 ' A' ' 23' ' ' LEU . 36.4 m-85 -78.15 154.63 79.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -76.83 -179.64 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 p -59.6 -35.59 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.75 34.58 5.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.49 35.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.074 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.4 25.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -130.82 90.73 39.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.61 8.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -118.92 11.14 12.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -125.47 143.09 51.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 21' ' ' VAL . 13.6 m -121.46 145.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.5 m -101.6 106.83 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.433 HG22 HG12 ' A' ' 50' ' ' ILE . 59.0 t -99.98 123.0 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 67' ' ' GLY . 8.7 m -99.09 157.64 16.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 66' ' ' THR . . . 131.5 165.9 11.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.9 mm? -47.98 153.4 1.18 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -17.22 37.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.33 -26.52 23.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -92.27 -41.41 10.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 68' ' ' LEU . 72.4 t -53.25 -50.82 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.54 -45.85 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -62.53 -37.17 85.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.13 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.551 HG23 HG13 ' A' ' 21' ' ' VAL . 41.0 mt -53.85 -52.2 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.79 -33.62 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.33 -33.34 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.687 ' CG2' HD13 ' A' ' 23' ' ' LEU . 64.3 mt -66.56 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.82 -30.09 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.29 -45.19 88.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.71 -35.31 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -50.41 -41.39 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 10.3 tt0 -75.28 -41.39 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.51 -38.43 84.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -75.09 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -51.16 -40.47 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -23.38 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -90.78 46.5 1.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.2 t -107.45 90.24 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 144.48 84.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.64 3.34 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' GLY . 29.4 m -145.87 117.01 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.3 m -39.55 97.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -112.72 154.87 25.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -57.25 123.05 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -156.51 -88.99 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 7.0 t -35.82 117.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -132.16 95.05 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.39 111.75 2.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 mmt-85 -85.41 166.65 16.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -153.69 172.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.765 HG22 ' HE2' ' A' ' 47' ' ' LYS . 21.8 t -104.61 -19.77 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.52 -172.66 25.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.46 144.63 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.59 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -45.54 -43.56 12.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -56.18 -41.39 75.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.5 mtt -44.95 157.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.13 140.82 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 p -99.09 137.32 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.12 160.22 39.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 123.79 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.544 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.9 t -116.11 121.4 33.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.673 HD13 HG22 ' A' ' 79' ' ' ILE . 24.9 tp -120.87 119.4 32.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.0 t70 -55.93 143.63 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -71.94 -15.84 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -74.4 -8.12 55.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.538 HG21 ' HG3' ' A' ' 83' ' ' GLU . 21.7 m -124.25 -7.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.476 ' CD2' HD23 ' A' ' 23' ' ' LEU . 12.2 m170 -51.8 -57.42 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.71 90.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.33 -33.91 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 HD21 ' A' ' 23' ' ' LEU . 40.8 mt -88.19 -45.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.27 -40.03 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.23 -170.82 33.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.44 -67.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 tpp85 -100.56 20.38 15.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.82 46.69 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' ARG . 31.0 tttp -86.79 -57.07 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.78 -38.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.054 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.745 HD11 HD12 ' A' ' 50' ' ' ILE . 5.3 tp -81.5 -32.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.6 tpp85 -55.7 -55.28 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -50.86 -29.53 12.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -77.09 -45.99 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.2 mtm -57.25 -49.29 76.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -35.52 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -47.16 -57.76 4.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -102.38 3.64 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.765 ' HE2' HG22 ' A' ' 10' ' ' VAL . 4.6 mmmm 62.18 41.5 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 m -113.85 165.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.32 98.91 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.745 HD12 HD11 ' A' ' 39' ' ' ILE . 49.8 mt -78.44 131.02 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -119.44 111.31 17.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -81.29 155.13 72.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.43 6.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.89 174.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -38.7 74.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.88 26.66 23.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.65 151.36 82.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.06 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.77 11.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -123.46 89.84 50.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.77 9.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.302 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -117.58 11.91 13.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 t -128.04 143.55 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.22 137.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 m -92.55 102.29 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 52.4 t -90.48 131.72 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -109.06 159.96 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.72 173.43 13.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 68' ' ' LEU . 3.6 mm? -56.26 154.94 14.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -13.49 34.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -90.88 -29.62 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -88.73 -39.09 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.63 -52.5 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.3 pt-20 -49.07 -40.3 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.2 mt-10 -70.48 -37.9 74.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.21 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.544 HG23 ' CG1' ' A' ' 21' ' ' VAL . 47.6 mt -53.14 -55.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -46.37 -37.19 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -74.21 -42.03 60.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.673 HG22 HD13 ' A' ' 23' ' ' LEU . 88.2 mt -59.81 -59.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD23 ' OE1' ' A' ' 83' ' ' GLU . 12.5 mt -59.49 -31.92 69.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -56.64 -46.5 80.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 54.8 mt -70.36 -45.74 65.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.541 ' OE1' HD23 ' A' ' 80' ' ' LEU . 13.9 tt0 -35.59 -48.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -52.55 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -45.76 -41.35 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -77.32 -46.31 23.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.1 mt -54.58 -30.63 54.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.68 -24.88 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -88.85 53.39 2.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -118.74 -45.89 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.4 147.35 16.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -27.32 26.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.6 p -73.66 131.56 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -56.12 147.48 20.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -171.37 138.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 m -113.17 150.97 31.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.8 118.58 2.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -78.46 102.63 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -125.24 130.91 53.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.37 169.05 16.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.9 mmp_? -87.18 170.51 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 8' ' ' ARG . 2.5 pp -159.13 168.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -88.68 -38.62 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA3' HD21 ' A' ' 68' ' ' LEU . . . 106.01 -176.73 22.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 9.6 mm-40 -89.81 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.18 -61.41 2.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -57.59 -19.1 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 20.0 mt-30 -78.24 -40.77 36.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.7 mtt -46.42 152.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.37 134.17 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -92.73 124.07 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -118.8 163.6 16.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -107.24 121.09 43.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.576 HG13 HG23 ' A' ' 76' ' ' ILE . 2.3 t -113.19 119.88 41.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.572 0.701 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 102.7 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.24 . . . . 0.0 112.335 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 31' ' ' ILE . 15.0 tp -120.55 119.2 32.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.15 142.27 56.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.414 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 49.9 p-80 -68.54 -11.97 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -74.68 -16.46 60.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' HIS . 34.8 m -119.06 -17.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . 5.9 m170 -34.9 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -53.33 -50.37 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -44.2 -40.2 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 63.3 mt -81.46 -49.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 29' ' ' ALA . 57.8 mt -45.42 -50.92 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.01 150.27 23.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.462 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.7 -64.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -105.34 24.81 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.06 62.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -92.55 -34.2 14.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -60.2 -32.63 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 50' ' ' ILE . 4.1 tp -85.95 -33.43 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.62 -49.78 67.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.05 -45.89 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.6 mtm -60.0 -52.2 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.32 -33.54 73.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -53.8 -54.59 36.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -103.71 7.74 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' MET . 43.2 mmtm 54.22 37.21 26.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.7 m -109.09 172.99 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -121.93 106.14 10.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.514 HD12 HD11 ' A' ' 39' ' ' ILE . 54.4 mt -92.1 108.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -102.22 108.99 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.446 ' HE2' HD23 ' A' ' 23' ' ' LEU . 34.7 m-85 -74.64 157.03 86.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.6 7.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.96 173.07 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.0 m -58.37 -13.55 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.89 20.72 9.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.61 148.31 61.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.546 0.689 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -129.66 89.77 45.64 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.3 Cg_endo -69.7 1.27 4.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.394 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -124.56 9.6 8.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 t -127.8 142.51 51.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.483 HG22 ' HB ' ' A' ' 21' ' ' VAL . 4.6 m -114.27 155.4 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -110.2 100.27 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.56 128.79 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.38 160.03 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.99 168.66 12.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.941 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 mm? -47.76 151.76 1.48 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -17.04 37.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.65 -26.55 22.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -91.8 -38.41 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 68' ' ' LEU . 77.9 t -56.01 -54.42 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -44.97 -47.44 11.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.58 -57.77 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.576 HG23 HG13 ' A' ' 21' ' ' VAL . 76.8 mt -44.11 -57.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -49.22 -43.72 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -69.91 -30.33 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.27 -58.33 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.34 -34.5 66.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.24 -48.66 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' GLU . 78.4 mt -64.27 -49.07 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.842 ' OE1' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -38.2 -54.62 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.13 -44.59 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 9.6 tp10 -59.37 -57.37 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -54.83 -65.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.842 HD12 ' OE1' ' A' ' 83' ' ' GLU . 12.5 mt -41.59 -49.52 4.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . -35.77 -39.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.14 70.31 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.3 p -107.02 -47.17 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -45.15 -94.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 159.08 54.66 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.2 p -63.68 151.6 41.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 p -94.34 162.4 13.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.508 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -134.71 147.42 50.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -112.87 43.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.24 132.33 10.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -168.44 158.28 9.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -44.9 147.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.98 92.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 9' ' ' ILE . 10.4 mmm-85 -91.18 162.71 14.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.5 pp -157.11 172.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.4 t -93.84 -50.69 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.76 178.1 24.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.62 140.72 33.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -42.53 -51.88 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -56.08 -43.27 77.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.97 -42.87 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.4 mtt -52.01 157.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -134.32 139.2 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -97.55 117.57 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -116.15 162.83 16.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.61 129.58 55.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.8 t -122.94 119.21 27.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.572 HD21 HD12 ' A' ' 31' ' ' ILE . 26.2 tp -117.4 117.22 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 30.0 t0 -47.9 142.72 4.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.418 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 2.9 t60 -75.39 -14.11 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -76.87 -18.5 58.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 m -113.4 6.26 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.9 m170 -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.46 99.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.57 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 71.0 mtt180 -53.87 -35.8 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.572 HD12 HD21 ' A' ' 23' ' ' LEU . 91.4 mt -85.22 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -42.79 -51.52 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.26 153.4 25.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.8 -62.04 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.14 23.11 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.34 23.39 78.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -80.73 -48.02 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -41.88 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.864 HD11 HD13 ' A' ' 50' ' ' ILE . 10.2 tp -80.56 -16.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -74.15 -43.33 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -64.52 -33.41 75.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 94.9 mt -69.82 -53.16 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.0 mtm -52.77 -45.06 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.23 88.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.54 -60.77 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.32 4.27 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm 54.96 48.68 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.2 m -117.95 171.26 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.64 104.65 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.864 HD13 HD11 ' A' ' 39' ' ' ILE . 12.3 mt -85.67 144.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -132.45 116.76 17.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' N ' ' HD3' ' A' ' 51' ' ' ARG . 85.1 m-85 -88.88 151.12 46.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 123.6 10.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -72.76 178.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 m -64.11 -16.52 61.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.78 8.09 31.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.89 147.9 78.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.53 6.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.21 89.9 10.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.99 11.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -121.74 12.61 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 t -123.76 139.1 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.2 m -120.08 150.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.7 m -107.46 110.47 22.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.3 t -99.35 122.29 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.1 166.42 12.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.9 mm? -44.72 151.59 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -21.51 33.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.76 -30.56 22.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.44 -38.73 19.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 68' ' ' LEU . 60.0 t -60.28 -54.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -42.88 -42.41 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.02 -50.28 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.16 -58.09 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.497 HG23 ' CG1' ' A' ' 21' ' ' VAL . 61.4 mt -41.09 -52.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.68 -41.48 43.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.39 -36.51 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.81 -63.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.85 -36.69 49.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.98 -46.21 64.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.95 -38.77 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -42.96 -60.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.23 -49.9 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -48.24 -56.35 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 39.1 m-85 -61.4 -47.59 85.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 68.2 mt -52.55 -33.89 47.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.85 -27.09 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.06 61.32 2.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -60.92 -44.09 97.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.83 -92.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -25.74 28.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.6 p -66.57 -50.57 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.0 m -88.38 124.59 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.538 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -152.39 158.52 42.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -157.46 116.16 3.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.98 87.77 0.47 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -47.35 -51.26 20.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -90.46 104.5 17.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 141.27 5.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 9' ' ' ILE . 12.9 mmt85 -83.39 166.55 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 8' ' ' ARG . 8.8 pt -159.35 175.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.2 t -100.85 -35.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.11 -167.86 44.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.7 156.39 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -58.29 9.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.43 -37.74 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -56.99 -41.15 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 58.5 mtt -50.83 154.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 m -131.77 141.59 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p -96.97 121.3 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.12 159.59 24.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -108.75 111.47 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.488 HG11 HG23 ' A' ' 76' ' ' ILE . 2.6 t -107.46 119.1 51.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.83 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.596 2.198 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.644 HD13 HG22 ' A' ' 79' ' ' ILE . 26.5 tp -115.51 123.04 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 41.2 t0 -56.19 141.59 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 7.1 p80 -72.47 -12.26 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -79.45 -27.96 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.562 HG11 ' HG2' ' A' ' 83' ' ' GLU . 16.6 m -102.19 2.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.99 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -31.76 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.3 mt -91.97 -48.98 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.2 -50.18 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.15 131.42 5.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -36.54 -57.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -75.29 -29.72 60.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.45 8.85 52.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' ARG . 25.9 tttp -81.97 -38.0 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.24 -54.06 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.744 HD11 HD12 ' A' ' 50' ' ' ILE . 9.0 tp -62.56 -28.94 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' LYS . 9.0 tpt85 -63.91 -34.26 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -60.06 -47.08 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.71 -47.05 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -53.32 -32.25 48.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -82.97 -39.47 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.8 -52.75 55.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.08 11.39 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm 46.39 47.61 13.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.9 m -116.12 167.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -121.36 105.62 10.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.744 HD12 HD11 ' A' ' 39' ' ' ILE . 30.2 mt -91.66 116.13 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.47 111.01 23.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -80.66 151.83 71.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.57 9.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.478 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 11.4 pt20 -62.15 168.62 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -47.98 -56.54 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.84 24.69 7.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -69.69 151.04 96.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.073 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.74 24.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.89 89.89 23.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.16 8.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -118.75 12.81 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -128.28 136.99 51.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.9 m -119.66 147.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -102.19 105.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -95.19 118.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.179 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -102.57 149.73 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 166.59 11.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.9 mm? -40.39 148.14 0.35 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.93 35.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.81 -27.43 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -89.6 -36.52 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.1 t -58.91 -54.87 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -47.32 -43.87 23.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.56 -52.73 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 -46.5 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.488 HG23 HG11 ' A' ' 21' ' ' VAL . 75.9 mt -52.08 -55.85 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -42.65 -41.65 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' NE2' HD11 ' A' ' 82' ' ' LEU . 5.4 t60 -68.49 -44.51 74.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.644 HG22 HD13 ' A' ' 23' ' ' LEU . 70.1 mt -57.74 -60.56 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.62 -38.47 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -52.41 -47.27 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 35.6 mt -70.14 -49.03 54.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' HG2' HG11 ' A' ' 27' ' ' VAL . 1.2 tm-20 -40.58 -39.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -72.05 -45.95 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -57.57 -52.65 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 82' ' ' LEU . 32.7 m-85 -58.64 -54.93 41.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.5 mt -50.05 -50.05 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.29 -35.14 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -109.27 45.65 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.1 p -91.05 -45.98 8.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.13 79.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 91.98 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 m -96.82 106.96 19.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.7 p -141.03 147.39 38.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m -143.6 153.59 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -152.38 123.24 7.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 55.48 0.41 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 m -117.15 177.74 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -122.98 -50.85 1.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.79 84.43 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -48.37 142.3 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 pt -145.65 -178.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.5 t -84.57 -44.37 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.67 -169.66 47.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -96.34 146.62 24.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.42 -54.98 24.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -57.84 -39.46 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -58.31 -41.15 83.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.7 mtt -51.12 153.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.13 142.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -99.54 120.71 40.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.54 156.03 26.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -105.93 116.74 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 63' ' ' VAL . 2.2 t -110.62 119.34 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 101.27 0.88 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.65 HD13 HG22 ' A' ' 79' ' ' ILE . 13.9 tp -120.31 132.47 55.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 27.2 t0 -69.83 150.11 47.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.518 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 2.5 t60 -74.55 -13.29 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -72.58 -38.55 67.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.561 HG21 ' HG3' ' A' ' 83' ' ' GLU . 19.2 m -94.35 -6.06 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -50.04 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -45.47 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -48.48 -31.92 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 53.1 mt -90.68 -51.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -44.42 -51.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.28 129.13 4.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.45 -61.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.082 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -74.97 -26.33 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.66 15.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -89.32 -38.39 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -51.91 -33.36 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.427 HD11 ' HB ' ' A' ' 50' ' ' ILE . 5.0 tp -82.25 -30.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.19 -56.37 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -43.81 42.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.14 -50.76 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' LYS . 28.1 mtm -53.59 -56.37 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -58.26 -46.9 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -39.38 -46.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 75' ' ' ALA . 26.6 m-85 -109.64 -0.49 18.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' MET . 35.2 mmtm 61.1 44.29 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.78 175.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -123.7 99.42 6.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.427 ' HB ' HD11 ' A' ' 39' ' ' ILE . 79.3 mt -83.31 133.3 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -124.81 121.7 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -92.37 153.22 42.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 115.01 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.48 -177.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -57.65 -39.42 76.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 46.61 1.61 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.99 145.66 31.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -34.84 13.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.84 91.13 50.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.57 8.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -118.99 13.86 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -126.84 146.03 50.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 21' ' ' VAL . 35.8 m -125.59 148.24 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -108.34 113.51 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.21 128.16 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.38 155.11 19.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.05 164.11 11.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.5 mm? -42.5 150.53 0.41 Allowed Pre-proline 0 C--N 1.328 -0.37 0 CA-C-O 121.549 0.69 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.09 32.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.217 . . . . 0.0 112.331 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -90.92 -29.64 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -86.81 -40.13 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 68' ' ' LEU . 72.0 t -59.85 -55.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.8 pt-20 -43.91 -47.15 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 39.3 mm-40 -65.83 -40.27 91.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -60.61 -45.31 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.494 HG23 ' CG1' ' A' ' 21' ' ' VAL . 90.0 mt -53.2 -58.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -44.58 -39.3 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.43 ' NE2' HD11 ' A' ' 82' ' ' LEU . 6.3 t60 -69.57 -41.66 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.65 HG22 HD13 ' A' ' 23' ' ' LEU . 82.6 mt -61.07 -55.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.514 HD23 ' OE1' ' A' ' 83' ' ' GLU . 18.0 mt -61.3 -35.57 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 3.1 t30 -53.41 -46.33 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD11 ' NE2' ' A' ' 78' ' ' HIS . 35.3 mt -74.45 -33.87 63.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.561 ' HG3' HG21 ' A' ' 27' ' ' VAL . 9.2 tt0 -49.94 -45.62 51.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -57.26 -41.95 80.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.08 -46.65 20.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 55.2 mt -57.67 -36.03 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.66 -36.35 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.12 57.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.5 t -87.41 77.5 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.39 -157.64 24.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.75 3.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.377 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 t -46.78 108.92 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.4 p -154.52 166.57 32.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -39.68 127.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -138.72 155.41 48.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.22 -94.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -101.8 168.35 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.925 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.0 p -61.92 -46.79 87.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.86 -129.59 2.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 9' ' ' ILE . 4.4 mmp_? -67.87 -177.76 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 8' ' ' ARG . 1.4 pt -163.52 -176.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.28 -40.83 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.3 -178.16 38.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -100.64 146.28 27.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.403 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.69 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -46.22 -39.8 10.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.4 mtt -41.3 146.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.35 139.59 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 p -95.11 116.1 28.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -114.48 158.32 21.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.71 132.48 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.684 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.9 t -122.92 123.67 26.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 31' ' ' ILE . 14.6 tp -120.64 125.93 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 27' ' ' VAL . 17.4 t0 -69.85 138.41 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 3.6 t60 -63.04 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 -67.74 -16.94 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.797 HG21 ' HG3' ' A' ' 83' ' ' GLU . 26.5 m -115.6 -16.8 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 10.9 m170 -41.07 -67.92 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.21 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 2.2 mpt_? -48.51 -31.04 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.652 HD12 HD21 ' A' ' 23' ' ' LEU . 76.8 mt -92.17 -52.02 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mt -43.07 -52.4 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 95.03 125.14 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -33.96 -56.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 1.3 mpp_? -80.34 -25.57 39.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.22 22.56 22.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -90.64 -32.28 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.5 68.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 tp -83.55 -23.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -68.15 -48.7 64.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 37.1 pttt -58.8 -44.72 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 88.4 mt -57.89 -41.13 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtm -65.65 -55.26 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -59.78 -37.28 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -48.75 -55.16 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -100.93 4.52 42.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm 59.46 43.11 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.43 166.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.0 102.03 8.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.6 mt -84.41 127.25 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -113.2 116.33 29.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -87.33 150.79 49.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -67.46 -176.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -53.58 -52.87 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.95 40.57 3.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.9 144.04 27.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.42 23.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -131.98 93.28 27.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -1.02 7.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.89 12.06 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.46 142.51 51.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 21' ' ' VAL . 33.6 m -119.72 154.46 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.1 m -113.09 102.95 10.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.4 t -90.27 122.79 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.85 150.64 21.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.19 170.6 12.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.568 ' O ' HG23 ' A' ' 72' ' ' VAL . 2.9 mm? -53.88 155.15 6.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.14 36.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.9 -30.12 18.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -87.8 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 68' ' ' LEU . 71.8 t -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' VAL . 18.0 pt-20 -37.33 -44.82 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.93 -50.79 63.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.49 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.684 HG23 ' CG1' ' A' ' 21' ' ' VAL . 76.1 mt -51.41 -50.59 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -50.13 -40.89 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.74 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 23' ' ' LEU . 92.1 mt -66.6 -57.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.28 -34.72 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -54.25 -45.23 72.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.07 -30.3 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.797 ' HG3' HG21 ' A' ' 27' ' ' VAL . 16.6 tt0 -51.63 -53.34 39.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -66.99 -45.1 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -51.35 -38.72 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' A' ' 30' ' ' ARG . 20.5 m-85 -77.64 -47.72 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.03 -42.32 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.35 -37.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -126.31 41.13 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -157.2 112.33 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.17 159.74 9.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 139.12 39.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t -153.84 161.72 41.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.0 m -41.9 134.28 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.523 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -68.13 98.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -71.65 178.12 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.72 -169.91 33.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -138.6 151.33 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -71.94 164.02 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.49 135.89 3.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.436 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 9' ' ' ILE . 9.8 mmt180 -92.87 165.46 12.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 8' ' ' ARG . 2.2 pp -158.37 172.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 47' ' ' LYS . 86.5 t -88.48 -38.76 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.94 -159.09 17.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 13.2 mt-10 -103.23 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.49 -60.06 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.24 -23.2 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 26.5 mt-30 -74.61 -30.47 61.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.0 mtt -51.83 155.64 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.38 134.74 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 p -88.91 125.98 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -126.12 160.61 29.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.85 127.12 55.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.664 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -118.2 122.66 30.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 100.87 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.813 HD23 ' CD2' ' A' ' 28' ' ' HIS . 11.0 tp -117.15 124.28 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.76 ' O ' HG22 ' A' ' 27' ' ' VAL . 20.8 t0 -62.29 129.23 39.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 32.6 p-80 -58.8 -13.49 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -78.4 -10.14 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 24' ' ' ASP . 26.7 m -117.6 -13.74 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.813 ' CD2' HD23 ' A' ' 23' ' ' LEU . 15.8 m170 -47.55 -67.89 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.44 -53.63 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -31.56 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.472 HG22 HD13 ' A' ' 39' ' ' ILE . 59.1 mt -86.98 -37.55 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.5 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.1 -144.33 17.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.07 -65.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.475 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 43.1 ttt-85 -105.32 16.05 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.63 36.25 17.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CD ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -92.5 -51.68 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.855 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.78 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.833 HD11 HD13 ' A' ' 50' ' ' ILE . 5.8 tp -85.69 -29.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -62.12 -55.88 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -45.82 -36.97 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.27 -35.45 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.4 mtm -67.2 -54.05 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.21 -25.66 67.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 46.2 tt0 -54.46 -49.69 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -114.07 6.76 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.689 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER 61.83 43.35 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.99 157.77 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -111.43 112.21 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.833 HD13 HD11 ' A' ' 39' ' ' ILE . 13.1 mt -94.88 130.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -124.46 112.26 16.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -79.48 153.56 76.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.19 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -70.92 174.35 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.5 p -61.16 -15.76 37.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.45 1.47 30.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.14 147.89 98.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.594 0.712 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.9 3.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -111.05 90.34 11.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.73 3.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.282 . . . . 0.0 112.32 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.25 12.16 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.97 145.51 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 m -124.45 142.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -95.64 108.32 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.2 t -101.39 123.96 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -101.7 161.95 13.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.8 163.86 11.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.439 ' CD2' ' H ' ' A' ' 68' ' ' LEU . 3.6 mm? -46.08 155.0 0.55 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -15.86 37.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.91 -29.16 16.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.06 -38.53 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.17 -48.27 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -52.95 -44.04 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -46.82 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.664 HG23 ' CG1' ' A' ' 21' ' ' VAL . 31.4 mt -54.44 -56.32 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.46 -39.16 6.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -72.83 -38.48 67.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 23' ' ' LEU . 96.9 mt -61.19 -58.59 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.38 -32.28 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -56.06 -45.12 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 76.0 mt -76.01 -27.04 57.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.558 ' HG2' HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -61.19 -45.03 96.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -46.54 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.33 -38.55 80.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 13.6 m-85 -69.53 -59.28 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.25 -44.53 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.71 -37.29 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -102.42 67.06 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 p -121.37 113.08 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.3 -158.98 16.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.17 17.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.363 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 t -110.73 -48.41 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -80.15 95.85 6.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -51.46 138.39 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.374 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -134.72 122.28 21.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.7 103.79 0.61 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -118.92 80.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.7 p -57.38 164.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.8 150.16 19.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -65.39 166.19 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -152.93 -176.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.2 t -125.91 -47.96 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.73 -178.45 36.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -95.71 150.52 20.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mp -54.06 -50.5 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -63.98 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.92 -42.13 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 mtt -49.04 159.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.44 131.6 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -85.78 124.54 32.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.32 159.13 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -109.18 136.41 48.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -127.15 119.25 22.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.05 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.787 HD13 HG22 ' A' ' 79' ' ' ILE . 19.2 tp -119.79 124.56 46.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.518 ' O ' HG22 ' A' ' 27' ' ' VAL . 14.1 t0 -57.24 125.42 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 56.7 p-80 -61.12 -16.25 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.77 -18.09 64.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 24' ' ' ASP . 20.0 m -117.79 -9.37 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.6 m170 -45.01 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -52.47 -52.97 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 17.8 mmm180 -41.89 -44.89 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 53.6 mt -74.55 -53.07 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 29' ' ' ALA . 60.1 mt -41.88 -52.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.25 131.4 5.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.05 -60.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -73.34 -23.57 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.47 24.05 32.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -92.96 -30.17 15.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -57.51 -34.1 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.622 HD11 HD12 ' A' ' 50' ' ' ILE . 5.9 tp -86.24 -23.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -67.83 -49.33 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.55 -48.88 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.0 mtm -55.4 -48.23 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -66.99 -35.05 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.63 -58.68 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -97.1 8.6 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 53.58 42.59 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 m -113.72 175.74 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -126.15 97.57 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.622 HD12 HD11 ' A' ' 39' ' ' ILE . 80.0 mt -82.53 131.44 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -123.84 121.67 36.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CE2' HG12 ' A' ' 32' ' ' ILE . 42.8 m-85 -88.41 154.73 51.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 116.72 4.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.622 2.215 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -74.43 179.21 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -17.1 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.9 18.18 29.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.68 143.58 33.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -37.48 8.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -115.05 92.35 30.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.546 0.688 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 13.98 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.07 145.51 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.7 m -120.52 156.56 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -115.54 108.57 16.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.77 139.05 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -115.56 146.94 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.89 175.08 13.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.0 mm? -55.33 153.88 12.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.94 33.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.5 -31.47 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -89.46 -43.11 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 68' ' ' LEU . 79.7 t -54.69 -49.85 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -52.21 -41.51 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.82 -49.32 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.07 -53.85 37.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.53 HG23 ' CG1' ' A' ' 21' ' ' VAL . 96.4 mt -43.11 -55.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -48.83 -35.65 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -73.01 -38.61 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.787 HG22 HD13 ' A' ' 23' ' ' LEU . 33.9 mt -64.45 -60.88 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD23 ' OE1' ' A' ' 83' ' ' GLU . 11.7 mt -54.79 -35.82 64.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -54.22 -46.0 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.6 mt -70.91 -40.27 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.526 ' OE1' HD23 ' A' ' 80' ' ' LEU . 8.4 tt0 -40.12 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.74 -42.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.602 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 5.2 tp10 -59.73 -57.65 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 32.6 m-85 -53.22 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.45 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 13.2 mt -47.58 -36.36 10.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . -46.25 -40.17 11.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.75 58.79 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.1 p -83.38 -47.84 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.3 82.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 1.85 4.09 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.4 p -67.27 86.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -63.52 158.45 20.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -147.34 149.5 32.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -132.13 156.41 46.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 160.09 33.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -102.23 -57.12 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.845 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 48.18 41.06 15.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.98 57.29 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 9' ' ' ILE . 27.5 mmt-85 -91.72 159.59 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.892 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 8' ' ' ARG . 8.5 pt -160.85 173.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.4 t -87.71 -46.62 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.11 -163.09 15.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 3.3 mm-40 -105.38 143.8 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.9 -64.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.84 -19.56 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.478 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 19.8 mt-30 -80.78 -24.2 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.54 154.92 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.28 136.05 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 m -91.83 140.13 29.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.98 154.84 47.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.28 118.53 36.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.529 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.7 t -114.96 120.51 37.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.25 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.977 HD21 HD12 ' A' ' 31' ' ' ILE . 16.7 tp -120.83 109.23 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 27' ' ' VAL . 20.6 t0 -47.54 153.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -77.51 -26.65 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -68.52 -4.69 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG21 ' HG3' ' A' ' 83' ' ' GLU . 21.1 m -124.51 -6.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.7 m170 -52.48 -68.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.88 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 15.8 mmt180 -52.41 -32.67 40.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.977 HD12 HD21 ' A' ' 23' ' ' LEU . 84.6 mt -90.16 -51.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.5 mt -44.97 -46.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.64 167.49 26.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 -53.24 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 7.87 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.53 32.16 8.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' ARG . 41.6 tttt -94.3 -53.44 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -39.39 -33.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.005 HD11 HD12 ' A' ' 50' ' ' ILE . 3.2 tp -89.81 -30.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.8 tpt85 -56.31 -37.06 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 17.3 ptpt -71.46 -38.33 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.447 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -66.3 -44.77 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' LYS . 13.2 mtm -57.2 -56.45 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.13 -32.5 73.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 36.0 tt0 -46.35 -52.77 12.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -116.11 7.34 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' MET . 0.2 OUTLIER 62.61 40.93 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.899 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.45 154.49 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.41 100.92 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.005 HD12 HD11 ' A' ' 39' ' ' ILE . 35.7 mt -80.2 117.91 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.62 110.86 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 32' ' ' ILE . 75.2 m-85 -80.0 152.97 74.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.71 11.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.64 -178.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -66.75 -22.39 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.87 21.79 11.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.01 153.2 92.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.581 0.705 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.81 29.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.24 89.74 27.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.61 4.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -123.29 8.55 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 t -124.09 144.44 49.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -121.43 148.19 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.7 m -104.06 100.51 10.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.5 t -90.07 118.6 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -94.02 156.92 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.23 167.24 12.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.4 mm? -50.55 154.84 2.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.65 37.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.24 -26.13 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -91.38 -45.23 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 68' ' ' LEU . 77.8 t -52.71 -56.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.517 ' HA ' HD12 ' A' ' 76' ' ' ILE . 14.0 pt-20 -43.42 -48.7 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.9 81.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.529 HG23 ' CG1' ' A' ' 21' ' ' VAL . 49.6 mt -51.73 -57.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -45.83 -38.11 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -72.32 -40.78 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.648 HG22 HD13 ' A' ' 23' ' ' LEU . 81.9 mt -61.72 -58.17 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.15 -31.88 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 1.7 t30 -57.62 -46.95 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.49 -28.95 59.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.579 ' HG3' HG21 ' A' ' 27' ' ' VAL . 7.1 tt0 -55.1 -43.96 74.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.43 -47.15 71.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.43 -50.99 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 34.8 m-85 -60.75 -53.37 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -52.03 -42.35 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.07 -25.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.74 58.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -95.05 -48.03 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.68 -95.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 117.45 5.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.743 2.295 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.7 t -126.44 94.89 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -150.41 130.36 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -133.29 -56.92 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.8 p 42.96 44.29 3.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.17 121.9 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -86.35 175.82 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -158.45 128.33 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 114.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.688 ' O ' HG23 ' A' ' 9' ' ' ILE . 13.4 mmt180 -83.71 -177.59 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.823 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 8' ' ' ARG . 1.9 pt -166.51 177.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.7 -36.49 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.23 -175.92 54.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -99.58 153.67 18.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.03 -47.94 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.64 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.02 -16.14 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.7 mtt -68.82 156.11 38.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.61 152.02 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 p -103.28 122.17 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.49 164.3 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.59 125.74 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.635 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -118.57 124.28 28.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 100.32 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD13 ' CG2' ' A' ' 79' ' ' ILE . 21.1 tp -120.8 123.44 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.514 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 29.8 t0 -55.18 137.18 47.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.518 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 14.9 p80 -75.82 -17.29 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -71.45 -18.69 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.55 12.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.547 ' CD2' HD23 ' A' ' 23' ' ' LEU . 10.3 m170 -66.78 -61.03 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -61.49 -27.79 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.16 -46.08 68.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 59.6 mt -75.93 -37.98 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 29' ' ' ALA . 44.9 mt -49.86 -53.15 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.1 153.35 24.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.48 -66.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -103.16 24.88 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.64 38.66 61.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.8 mmmt -90.87 -55.21 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -45.54 -32.65 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.412 HD11 ' CD1' ' A' ' 50' ' ' ILE . 10.5 tp -89.02 -21.66 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LYS . 13.1 tpp85 -66.03 -45.85 79.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -59.79 -38.11 80.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.92 -43.06 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LYS . 22.2 mtm -64.29 -54.16 37.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.12 -52.78 63.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -105.8 3.91 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' MET . 28.6 mmtt 61.17 53.03 3.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.38 162.72 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -114.82 101.18 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.412 ' CD1' HD11 ' A' ' 39' ' ' ILE . 27.1 mt -83.32 144.62 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -131.33 120.63 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -88.92 158.1 47.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.09 4.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' SER . 51.8 mm-40 -70.91 164.4 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' GLN . 7.4 t -38.01 -58.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.49 44.63 3.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.65 144.35 27.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.592 0.71 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -43.68 2.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -115.6 91.0 27.96 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.69 10.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.66 14.21 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.18 139.98 52.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 63' ' ' VAL . 19.9 m -120.38 126.02 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -84.65 107.18 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -95.99 135.07 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -110.85 153.78 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.97 167.7 12.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.854 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.0 mm? -44.77 150.85 0.66 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.21 34.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.94 -27.51 24.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -87.67 -46.76 9.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 68' ' ' LEU . 93.2 t -47.49 -54.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -46.22 -47.41 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -60.05 -42.31 94.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.53 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.635 HG23 ' CG1' ' A' ' 21' ' ' VAL . 76.9 mt -46.99 -56.84 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -46.99 -36.45 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -74.22 -32.56 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.555 ' CG2' HD13 ' A' ' 23' ' ' LEU . 71.8 mt -70.11 -59.64 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.58 -29.95 62.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.16 -52.57 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLU . 88.8 mt -61.85 -48.15 81.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.64 ' OE1' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -35.03 -52.31 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.17 -43.9 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' LEU . 9.4 mt-10 -59.49 -36.63 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.84 -54.18 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.64 HD12 ' OE1' ' A' ' 83' ' ' GLU . 49.0 mt -57.18 -34.28 68.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.35 -27.53 24.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -132.3 47.75 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.6 m -119.73 82.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -167.4 -73.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 85.55 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.7 p -156.5 143.9 19.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -98.85 135.93 39.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p 38.91 42.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.827 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -93.37 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.95 179.36 49.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -81.35 112.04 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -131.53 115.88 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.7 -178.05 16.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -74.37 166.64 23.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.332 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -152.06 -178.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.75 -24.07 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.87 -175.48 51.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -100.79 155.76 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.18 -63.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -45.96 -39.02 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.45 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.2 mtt -52.21 151.14 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.24 137.54 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 p -90.11 118.18 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -116.69 156.8 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.67 119.74 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.1 t -112.18 119.02 44.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.616 0.722 . . . . 0.0 111.18 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 101.82 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.744 HD23 ' CD2' ' A' ' 28' ' ' HIS . 11.2 tp -119.28 128.62 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.718 ' O ' HG22 ' A' ' 27' ' ' VAL . 32.1 t0 -66.73 137.03 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -63.18 -11.83 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt-85 -78.03 -5.87 52.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 24' ' ' ASP . 32.6 m -123.47 -24.56 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.744 ' CD2' HD23 ' A' ' 23' ' ' LEU . 12.4 m170 -34.43 -65.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.22 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB3' ' CG ' ' A' ' 86' ' ' TYR . 32.7 mmt180 -47.92 -28.57 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.647 HD12 HD21 ' A' ' 23' ' ' LEU . 74.5 mt -93.68 -49.51 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.5 -48.9 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.31 -149.96 19.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.6 -64.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.44 21.26 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.47 22.32 67.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -84.64 -30.79 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.72 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.785 HD11 HD13 ' A' ' 50' ' ' ILE . 3.4 tp -75.89 -36.37 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.68 -28.92 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -61.41 -54.58 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -61.07 -41.52 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.2 mtm -57.15 -42.19 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.27 -29.46 42.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.42 -52.09 55.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -114.15 6.57 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.45 44.75 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.4 163.63 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.46 109.7 17.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.785 HD13 HD11 ' A' ' 39' ' ' ILE . 15.3 mt -89.91 117.79 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 112.2 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -82.58 150.2 62.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 127.69 14.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -83.04 163.56 20.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -46.34 -26.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.56 32.61 7.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.97 149.34 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -31.75 20.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.371 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.45 90.29 51.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -4.8 14.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -118.87 14.22 13.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.41 140.22 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 m -118.29 141.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.6 m -100.66 106.33 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -95.19 137.23 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -114.31 145.86 41.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . 140.64 161.61 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.543 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.8 mm? -37.67 152.57 0.13 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.702 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.41 31.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -88.24 -26.37 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.51 -34.52 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.4 t -66.03 -49.74 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -50.28 -39.37 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -71.74 -38.87 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.4 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.53 HG23 ' CG1' ' A' ' 21' ' ' VAL . 85.2 mt -50.02 -55.35 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -48.75 -38.77 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.415 ' NE2' HD11 ' A' ' 82' ' ' LEU . 4.8 t60 -69.76 -35.54 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 HD13 ' A' ' 23' ' ' LEU . 79.5 mt -65.57 -52.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.67 -30.71 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -59.65 -45.54 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.415 HD11 ' NE2' ' A' ' 78' ' ' HIS . 44.3 mt -78.42 -30.14 47.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' HG3' HG21 ' A' ' 27' ' ' VAL . 12.9 tt0 -51.41 -44.4 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -73.85 -49.54 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.9 -39.39 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.448 ' CG ' ' HB3' ' A' ' 30' ' ' ARG . 17.5 m-85 -74.23 -48.37 29.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.09 -37.78 35.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.44 -28.21 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -82.34 45.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.7 t -124.3 44.43 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.15 -159.64 33.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.03 16.9 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 t -100.47 -55.16 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.797 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.1 p -155.17 130.71 9.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.547 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -170.85 131.21 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 t -71.48 152.1 43.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.04 -161.73 30.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m 54.33 43.37 30.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 p -153.53 167.27 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.23 146.13 9.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.52 ' O ' HG23 ' A' ' 9' ' ' ILE . 14.3 mmt180 -98.51 162.19 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.627 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.5 pp -158.16 162.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.5 t -101.26 -45.05 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.63 171.15 47.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.92 156.15 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.74 -57.18 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.22 -40.62 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.21 -36.56 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.1 mtt -52.53 152.36 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -130.37 141.91 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 p -96.57 118.58 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -115.32 141.78 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.28 110.49 22.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.702 HG13 HG23 ' A' ' 76' ' ' ILE . 2.9 t -100.86 119.66 57.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 98.98 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.743 HD13 HG22 ' A' ' 79' ' ' ILE . 20.4 tp -121.04 124.41 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 39.7 t0 -62.32 143.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.468 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 39.9 t-80 -73.04 -10.96 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -77.29 -13.45 59.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 ' HG3' ' A' ' 83' ' ' GLU . 27.7 m -119.53 -9.35 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 20.3 m170 -50.75 -71.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -40.39 58.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -54.26 -44.36 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.403 ' CD1' HD21 ' A' ' 23' ' ' LEU . 30.1 mt -75.86 -37.6 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.617 HD11 ' CD2' ' A' ' 52' ' ' PHE . 84.6 mt -69.02 -28.13 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.97 -115.27 2.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.54 -174.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -51.9 -16.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 158.22 33.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' ARG . 39.6 ttmt -94.83 -58.63 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.58 -32.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 tp -88.92 -26.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LYS . 3.0 tpm_? -63.97 -50.21 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 28.3 pttt -53.03 -39.3 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -65.63 -40.51 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.2 mtm -60.87 -58.12 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.81 -35.62 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -49.61 -55.57 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.35 10.11 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 54.99 38.11 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.51 -178.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -132.45 102.05 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 mt -93.8 110.65 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -107.14 110.34 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CD2' HD11 ' A' ' 32' ' ' ILE . 51.6 m-85 -74.7 149.56 85.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.666 0.746 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.86 9.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.281 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.93 -178.16 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.2 p -53.44 -47.78 69.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.03 44.01 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 146.29 32.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.569 0.7 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -31.52 20.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.748 2.299 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.3 m-20 -129.18 92.78 38.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.3 Cg_endo -69.73 -2.83 10.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -121.36 12.73 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.2 t -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 21' ' ' VAL . 35.3 m -114.61 155.82 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -109.9 108.94 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.37 121.15 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -99.53 158.25 15.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.22 170.87 12.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.7 mm? -55.03 155.01 9.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.15 37.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.62 -27.26 23.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.71 -38.07 12.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 68' ' ' LEU . 98.0 t -61.31 -55.77 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 26.0 pt-20 -39.6 -46.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 21.2 mt-10 -66.75 -46.68 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.29 73.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.702 HG23 HG13 ' A' ' 21' ' ' VAL . 12.8 mt -51.43 -49.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -53.72 -47.57 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 82' ' ' LEU . 24.9 t60 -59.87 -38.23 81.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.743 HG22 HD13 ' A' ' 23' ' ' LEU . 75.3 mt -62.03 -58.48 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.8 -32.64 69.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -57.13 -50.52 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 78' ' ' HIS . 20.2 mt -66.15 -47.39 74.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.677 ' HG3' HG21 ' A' ' 27' ' ' VAL . 26.8 tt0 -39.46 -53.21 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.69 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.3 -43.79 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -75.76 -44.08 43.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.9 mt -50.6 -48.18 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . -37.18 -38.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.05 71.68 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.3 p -80.73 93.98 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.75 -158.64 25.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 160.53 49.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.6 t -114.99 109.03 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -50.58 145.32 6.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -102.3 147.77 26.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -51.47 -59.04 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.66 -37.64 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.25 -29.89 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.1 mtt -59.54 151.85 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -127.94 134.04 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.6 p -85.24 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -126.95 161.5 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.06 118.43 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.741 HG13 HG23 ' A' ' 76' ' ' ILE . 2.4 t -110.24 122.17 39.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 101.64 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.41 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD13 HG22 ' A' ' 79' ' ' ILE . 16.3 tp -120.79 130.29 53.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.24 141.86 54.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -67.08 -14.0 62.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -78.55 -15.48 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 83' ' ' GLU . 19.5 m -118.65 7.55 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -64.1 -69.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -53.95 -49.71 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -44.87 -37.98 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 65.9 mt -83.8 -45.91 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 29' ' ' ALA . 20.2 mt -52.73 -38.14 26.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -154.0 21.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.12 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -108.4 23.95 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.52 32.37 34.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -90.04 -52.8 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -47.29 -31.67 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.613 HD11 ' CD1' ' A' ' 50' ' ' ILE . 10.0 tp -91.16 -18.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -70.56 -40.56 73.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -67.15 -35.42 79.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.2 mt -67.95 -42.01 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.2 mtm -61.34 -54.97 36.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.09 -34.12 73.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -51.72 -55.5 19.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.85 4.43 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' MET . 36.3 mmtt 57.98 43.36 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.69 175.31 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.1 97.12 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.613 ' CD1' HD11 ' A' ' 39' ' ' ILE . 84.9 mt -80.18 126.46 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -117.68 101.48 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -70.39 150.25 95.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD3' HG12 ' A' ' 63' ' ' VAL . 53.2 Cg_endo -69.81 126.84 13.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.419 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 13.5 pt20 -73.99 167.78 20.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.9 m -47.93 -51.42 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 21.16 11.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -74.38 147.69 85.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.579 0.705 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.2 27.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -133.77 89.81 29.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -0.58 7.12 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.07 10.88 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 t -128.24 140.43 51.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.412 HG12 ' HD3' ' A' ' 53' ' ' PRO . 12.4 m -121.4 133.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 m -91.44 113.01 25.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 50' ' ' ILE . 86.0 t -105.03 131.5 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 157.64 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.71 166.96 11.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.462 ' CD2' ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -46.57 153.52 0.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.48 36.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.54 -30.54 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -86.42 -41.72 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -54.22 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 14.9 pt-20 -45.04 -47.47 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 7.5 mm-40 -62.19 -43.08 99.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.64 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.741 HG23 HG13 ' A' ' 21' ' ' VAL . 56.8 mt -53.63 -58.98 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -46.32 -36.15 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -74.31 -32.14 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.574 HG22 HD13 ' A' ' 23' ' ' LEU . 92.0 mt -68.1 -57.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -56.08 -32.8 64.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -71.06 -29.82 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.621 ' HG3' HG21 ' A' ' 27' ' ' VAL . 23.2 tt0 -55.9 -57.25 12.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -57.42 -61.25 2.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -40.07 -53.04 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -61.97 -54.81 36.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.4 mt -45.26 -48.71 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -107.1 142.16 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 mp -48.72 -66.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -42.89 -46.03 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.05 -37.15 71.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.0 mtt -52.04 150.52 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -129.42 144.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -95.85 128.18 42.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -125.02 160.97 27.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.15 114.08 25.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.637 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.3 t -110.34 121.18 42.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 ' CG2' ' A' ' 79' ' ' ILE . 23.7 tp -118.35 123.29 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 27' ' ' VAL . 37.9 t0 -59.76 127.17 30.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.593 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 3.7 t-160 -59.33 -24.65 63.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 mmp_? -62.72 -18.0 61.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 24' ' ' ASP . 17.5 m -117.09 -15.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.4 m170 -40.06 -70.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.857 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -54.19 -49.74 68.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -46.3 -33.35 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.583 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 75.6 mt -87.48 -46.17 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.857 HD12 ' HA ' ' A' ' 29' ' ' ALA . 22.0 mt -47.78 -50.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.54 158.33 33.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.09 -55.89 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -96.75 21.63 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.08 30.59 64.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -88.01 -44.15 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -49.97 -35.25 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 tp -89.74 -23.0 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -64.69 -41.05 96.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.31 -34.7 78.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.44 -46.06 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.37 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.43 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -55.63 -57.39 12.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.517 ' O ' HG13 ' A' ' 48' ' ' VAL . 36.9 m-85 -99.72 12.11 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt 47.86 47.66 18.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 46' ' ' PHE . 32.4 m -120.5 165.95 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.37 99.53 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.4 mt -82.89 110.43 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -104.0 106.27 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.46 154.06 85.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.09 9.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -73.81 174.33 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -51.89 -42.32 62.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 43.06 2.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.94 148.27 34.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.47 25.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.74 89.6 45.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -2.94 11.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -119.75 9.4 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.9 t -123.13 137.01 55.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.12 141.72 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.8 m -100.01 101.08 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.26 129.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -106.83 157.75 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.99 168.66 12.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.8 mm? -48.78 151.55 2.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.79 37.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -87.01 -27.45 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -90.25 -39.26 12.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.3 t -56.03 -53.96 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.82 -44.72 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -64.84 -42.62 94.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -55.03 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.637 HG23 ' CG1' ' A' ' 21' ' ' VAL . 83.9 mt -45.52 -57.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -44.26 -38.92 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -71.74 -37.91 70.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.793 ' CG2' HD13 ' A' ' 23' ' ' LEU . 93.2 mt -62.69 -55.36 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.49 -44.39 76.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 53.3 mt -76.98 -40.51 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -41.13 -44.74 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.31 -69.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.8 tp10 -42.52 -57.89 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 82' ' ' LEU . 5.4 m-85 -45.26 -54.75 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.441 HD21 ' OD2' ' A' ' 24' ' ' ASP . 14.9 mt -52.93 -45.96 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.15 150.87 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.29 -66.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -47.85 -43.18 28.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -53.66 -31.67 48.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.56 154.03 18.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.78 144.37 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.8 p -95.81 133.5 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.7 ' CD ' HG11 ' A' ' 72' ' ' VAL . 23.0 mt-10 -133.71 140.48 47.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -94.95 115.92 28.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.644 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.1 t -108.83 121.69 42.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.37 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.594 HD13 ' CG2' ' A' ' 79' ' ' ILE . 15.4 tp -120.37 124.62 45.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -64.22 140.55 58.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -66.5 -12.0 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -74.01 -29.85 62.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.23 -16.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -43.12 -63.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.11 -53.68 55.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -42.37 -37.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 HD21 ' A' ' 23' ' ' LEU . 97.5 mt -83.2 -51.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.8 mt -43.14 -52.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 93.09 127.02 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -34.17 -58.2 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.93 -28.07 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.28 22.07 23.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -29.45 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -56.98 -28.55 62.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 tp -89.66 -20.16 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -73.01 -46.02 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -58.64 -35.58 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.75 -47.6 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 mtm -58.73 -44.78 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.55 -37.05 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -50.91 -55.9 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -96.46 0.57 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 63.42 36.18 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.08 173.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -126.93 93.45 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mt -80.55 135.87 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -128.38 114.76 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -78.87 151.25 76.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.672 0.749 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.27 2.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -59.14 176.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.7 p -53.86 -51.83 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.58 36.08 3.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.39 146.51 34.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -33.58 16.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.75 89.72 52.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.14 15.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.56 12.47 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -127.61 141.79 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.61 133.45 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.6 m -89.23 107.32 18.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -98.93 123.55 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -104.52 161.5 14.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.47 168.84 12.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -47.14 151.53 1.2 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -19.38 36.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -84.39 -30.84 25.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -85.94 -39.18 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.7 HG11 ' CD ' ' A' ' 19' ' ' GLU . 20.4 t -59.07 -51.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -46.37 -39.87 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.68 -50.1 22.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.33 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.644 HG23 ' CG1' ' A' ' 21' ' ' VAL . 48.9 mt -50.3 -52.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -53.47 -42.76 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -65.89 -30.16 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.594 ' CG2' HD13 ' A' ' 23' ' ' LEU . 97.0 mt -68.94 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' OE1' ' A' ' 83' ' ' GLU . 10.6 mt -53.83 -25.0 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.18 -47.58 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.77 -36.09 62.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' OE1' HD23 ' A' ' 80' ' ' LEU . 10.2 tt0 -51.08 -40.57 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -71.54 -44.4 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.91 -49.06 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.36 -49.31 64.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.49 -36.05 61.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.11 137.9 45.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 mt -41.25 -53.44 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.81 -41.92 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -58.84 -33.09 70.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.0 mtt -58.98 154.3 15.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 67' ' ' GLY . 19.7 m -124.14 139.14 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -97.06 109.59 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -105.72 162.69 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.83 113.99 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.644 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.0 t -105.54 122.05 44.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.07 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.628 2.219 . . . . 0.0 112.33 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD21 HD12 ' A' ' 31' ' ' ILE . 13.7 tp -117.22 123.93 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.534 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 28.8 t0 -55.08 151.58 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.513 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 12.4 t-160 -78.45 -13.55 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -79.14 -28.15 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 m -101.46 -9.59 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 8.5 m170 -47.88 -71.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.68 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -53.39 -37.58 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.711 HD12 HD21 ' A' ' 23' ' ' LEU . 65.4 mt -86.08 -48.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -45.12 -50.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.83 175.37 26.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.36 -59.04 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -106.34 15.68 25.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.51 27.62 50.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -88.57 -48.04 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.19 -41.77 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 50' ' ' ILE . 7.5 tp -77.59 -27.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.04 -53.99 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -55.88 -30.23 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 91.2 mt -73.1 -40.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.1 mtm -66.42 -55.19 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.25 -35.7 74.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -50.8 -54.2 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -103.21 5.0 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' MET . 25.6 mmtm 57.44 45.59 19.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.5 m -119.26 156.35 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -109.37 100.06 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.553 ' CD1' HD11 ' A' ' 39' ' ' ILE . 62.5 mt -84.27 129.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -119.4 111.31 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.27 155.36 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 121.99 8.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -66.86 176.46 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.5 p -59.32 -29.21 67.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.92 26.53 17.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.5 147.47 63.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.02 26.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -127.2 89.6 51.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.852 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.4 Cg_endo -69.77 -1.95 9.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -122.03 12.53 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.9 t -127.59 144.44 51.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.8 m -123.92 146.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.7 m -103.32 101.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 50' ' ' ILE . 99.7 t -93.46 124.11 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.03 155.26 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 17' ' ' VAL . . . 133.66 165.81 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.409 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.9 mm? -46.82 153.08 0.85 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -17.73 37.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -86.04 -33.36 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -86.07 -46.55 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -49.49 -46.19 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -56.43 -42.45 78.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 5.9 mm-40 -65.86 -39.78 91.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.54 -53.99 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.644 HG23 ' CG1' ' A' ' 21' ' ' VAL . 71.2 mt -44.54 -55.11 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -45.65 -44.66 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.57 -35.43 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.621 ' CG2' HD13 ' A' ' 23' ' ' LEU . 96.9 mt -66.28 -55.2 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.83 -34.68 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.22 -44.64 79.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.1 mt -75.58 -29.27 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.6 -46.94 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -70.83 -55.58 8.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -42.72 -44.58 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -73.44 -52.44 13.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -46.4 -42.5 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.774 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.23 144.42 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.5 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.82 -16.66 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -85.53 -27.43 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.09 161.67 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.78 140.08 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -96.16 119.49 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.37 160.09 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -109.39 117.33 33.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -111.92 120.29 42.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 102.32 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.643 HD21 HD12 ' A' ' 31' ' ' ILE . 21.0 tp -116.89 123.54 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.669 ' O ' HG22 ' A' ' 27' ' ' VAL . 34.7 t0 -57.92 125.53 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -58.42 -16.21 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -75.22 -18.86 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 24' ' ' ASP . 22.3 m -110.33 -19.72 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -37.28 -70.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.77 -46.64 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -48.55 -40.52 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.643 HD12 HD21 ' A' ' 23' ' ' LEU . 41.3 mt -80.26 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -42.98 -50.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 89.55 134.27 5.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -37.12 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -13.35 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.77 32.1 30.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -94.52 -31.71 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.4 tp -83.31 -22.12 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.72 -49.39 53.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 54.6 pttt -58.87 -43.24 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 81.6 mt -58.89 -44.1 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.6 mtm -63.26 -54.77 32.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -58.91 -38.27 78.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -49.17 -57.04 7.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -98.77 3.95 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 22.9 mmtp 58.6 42.46 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.26 164.92 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -115.65 96.94 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.417 HG12 HG22 ' A' ' 65' ' ' VAL . 82.6 mt -80.55 118.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.58 114.1 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -82.3 153.96 69.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.44 3.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 8.1 pt20 -58.42 177.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -54.76 -55.33 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.18 21.49 10.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -67.29 146.87 98.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.69 20.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -131.05 89.74 41.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -1.51 8.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.94 10.32 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.95 139.18 52.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 m -115.9 130.5 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.8 m -90.11 103.0 15.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.417 HG22 HG12 ' A' ' 50' ' ' ILE . 88.2 t -94.13 132.02 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.51 159.07 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.78 164.92 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -47.61 152.85 1.15 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 -17.91 37.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.19 -30.92 30.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.27 -44.0 10.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 68' ' ' LEU . 26.0 t -49.31 -48.34 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.53 -47.84 66.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.95 -43.5 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.49 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.438 HG23 ' CG1' ' A' ' 21' ' ' VAL . 53.3 mt -45.78 -57.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -42.8 -47.21 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -64.01 -39.22 93.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.536 HG22 HD13 ' A' ' 23' ' ' LEU . 98.6 mt -61.09 -58.08 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.2 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.22 -45.97 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.28 -32.85 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' A' ' 27' ' ' VAL . 19.4 tt0 -56.56 -60.83 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -32.77 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.67 -39.49 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.98 -52.06 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.93 -33.62 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.847 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -96.43 143.38 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.32 -58.66 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.64 -35.72 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -66.92 -27.97 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtt -57.62 149.3 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.22 147.09 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m -107.56 117.95 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -114.52 161.06 18.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 121.95 45.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -115.58 120.12 36.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 104.15 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.384 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD23 ' HE1' ' A' ' 52' ' ' PHE . 44.2 tp -120.41 131.74 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.515 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 45.7 t0 -62.16 145.76 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -78.17 -16.25 58.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -76.9 -20.15 56.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.83 10.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 7.9 m170 -66.97 -69.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.05 -37.96 62.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -56.99 -43.49 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.77 -44.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.469 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.7 mt -52.19 -49.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.19 127.03 4.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.43 -58.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -74.81 -28.21 60.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.57 16.81 38.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.482 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 14.0 tptm -87.81 -40.45 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.35 -62.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.676 HD11 HD12 ' A' ' 50' ' ' ILE . 6.6 tp -53.88 -26.43 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 5.4 tpp180 -61.87 -32.29 72.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -61.23 -50.8 71.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.6 mt -68.21 -39.98 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.86 -45.07 95.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -36.58 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.75 -54.17 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -98.99 2.43 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm 57.91 40.06 26.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -112.02 163.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -117.93 101.91 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.676 HD12 HD11 ' A' ' 39' ' ' ILE . 56.7 mt -84.72 106.38 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -95.87 106.82 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE2' HG12 ' A' ' 32' ' ' ILE . 59.2 m-85 -72.74 150.48 90.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.15 4.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.622 ' HG2' ' HB2' ' A' ' 57' ' ' ALA . 7.1 pt20 -53.09 -177.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.6 m -65.32 -48.19 73.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.65 19.37 33.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 54' ' ' GLN . . . -68.95 148.61 97.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.87 23.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.82 89.73 38.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -118.52 14.04 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t -128.08 138.69 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 21' ' ' VAL . 34.6 m -120.82 147.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.1 m -101.22 99.8 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.5 t -90.16 120.17 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -98.7 157.61 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.82 169.97 12.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.9 mm? -53.73 156.1 5.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -11.99 32.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.51 -33.17 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -86.2 -40.11 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 68' ' ' LEU . 53.4 t -57.72 -54.24 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -47.36 -46.4 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.69 79.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG23 ' CG1' ' A' ' 21' ' ' VAL . 77.6 mt -48.91 -58.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -42.66 -44.51 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.558 ' NE2' HD11 ' A' ' 82' ' ' LEU . 4.2 t60 -66.78 -44.68 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.74 -60.55 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -54.27 -38.54 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -55.56 -50.04 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.558 HD11 ' NE2' ' A' ' 78' ' ' HIS . 66.8 mt -64.64 -34.21 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.01 -57.86 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.34 -37.41 85.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.19 -47.32 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -71.5 -47.15 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.4 mt -47.25 -43.15 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.736 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -104.81 149.92 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -50.96 -42.4 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -55.42 -39.96 70.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mtt -48.51 156.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.04 139.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 p -87.63 135.8 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HB2' HG11 ' A' ' 72' ' ' VAL . 6.4 mt-10 -134.24 142.34 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.19 120.3 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.6 t -113.46 119.82 41.02 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.85 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.779 HD21 HD12 ' A' ' 31' ' ' ILE . 13.8 tp -120.94 131.83 54.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.435 ' O ' HG22 ' A' ' 27' ' ' VAL . 7.7 t0 -69.94 142.05 52.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -69.37 -13.26 62.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -75.26 -15.42 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG21 ' HG3' ' A' ' 83' ' ' GLU . 23.7 m -117.77 -13.81 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -42.22 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.72 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -53.15 -31.42 42.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.779 HD12 HD21 ' A' ' 23' ' ' LEU . 80.1 mt -90.39 -38.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.6 -38.53 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.25 -153.32 23.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.34 -73.51 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -91.81 15.36 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.23 34.12 27.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.02 -49.79 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.31 -29.17 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 50' ' ' ILE . 11.0 tp -93.18 -21.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.92 -48.08 72.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -58.8 -37.22 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.91 -44.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 mtm -61.53 -55.43 31.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.15 -35.98 76.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -50.94 -53.09 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -103.06 12.01 36.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 50.25 49.49 20.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.57 176.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -131.25 100.61 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.5 HD13 HD11 ' A' ' 39' ' ' ILE . 13.8 mt -82.86 138.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 52' ' ' PHE . 2.0 tmm_? -123.8 120.44 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' N ' ' HD2' ' A' ' 51' ' ' ARG . 54.0 m-85 -90.59 149.68 41.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 126.51 13.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.276 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 20.9 pt20 -72.16 168.38 18.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.4 m -50.41 -51.2 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.08 5.64 53.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 54' ' ' GLN . . . -65.38 147.05 98.86 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.91 2.95 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -115.61 89.23 22.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -0.04 6.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.63 13.1 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.94 138.49 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.95 152.36 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -109.61 108.04 18.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 50' ' ' ILE . 77.2 t -98.61 124.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -99.51 158.35 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.1 166.11 12.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.6 mm? -42.64 153.42 0.32 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.98 30.09 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -29.66 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -82.52 -38.17 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 68' ' ' LEU . 76.2 t -63.19 -47.82 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 6.4 pt-20 -52.75 -38.09 60.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 44.6 mt-10 -71.85 -39.05 69.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.11 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.47 HG23 ' CG1' ' A' ' 21' ' ' VAL . 39.5 mt -46.26 -54.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -42.94 -40.21 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.427 ' NE2' HD11 ' A' ' 82' ' ' LEU . 7.0 t60 -71.93 -44.99 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.732 HG22 HD13 ' A' ' 23' ' ' LEU . 66.4 mt -56.59 -52.82 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.618 HD23 ' OE1' ' A' ' 83' ' ' GLU . 11.8 mt -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.57 -49.08 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD11 ' NE2' ' A' ' 78' ' ' HIS . 28.0 mt -70.52 -29.01 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.618 ' OE1' HD23 ' A' ' 80' ' ' LEU . 30.8 tt0 -53.44 -44.34 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -73.2 -47.34 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -54.24 -58.95 5.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -56.13 -51.83 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.41 -41.94 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.757 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.43 147.66 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -49.15 -60.95 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -53.16 -46.51 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -50.44 -43.14 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.1 mtt -47.42 160.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.64 138.62 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 p -88.84 121.82 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.529 ' HB2' HG11 ' A' ' 72' ' ' VAL . 6.4 mm-40 -118.33 157.27 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -107.71 120.01 41.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.551 HG13 HG23 ' A' ' 76' ' ' ILE . 2.3 t -115.15 120.16 37.33 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.637 0.732 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 103.05 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD13 ' CG2' ' A' ' 79' ' ' ILE . 20.9 tp -119.05 115.58 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.8 t0 -50.86 136.94 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 6.3 t60 -70.14 -16.46 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -73.89 -19.07 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 24' ' ' ASP . 7.4 m -113.44 -14.12 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 8.8 m170 -36.94 -59.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -56.75 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -38.97 -34.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.487 HD12 HD21 ' A' ' 23' ' ' LEU . 84.8 mt -87.68 -50.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.75 -42.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.74 -170.64 26.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.14 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.74 13.17 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.95 35.77 17.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -94.69 -49.16 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -47.78 -31.67 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 50' ' ' ILE . 8.5 tp -88.11 -24.15 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -64.92 -43.44 92.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -61.78 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.28 -40.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.9 mtm -64.36 -56.04 17.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.54 -33.71 73.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.37 -55.99 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -105.11 7.98 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 67.1 mmtt 57.1 43.86 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.91 162.72 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -114.03 112.87 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' A' ' 39' ' ' ILE . 88.7 mt -94.63 109.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -101.51 109.3 21.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.553 ' HE2' HD23 ' A' ' 23' ' ' LEU . 36.4 m-85 -78.15 154.63 79.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -76.83 -179.64 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 p -59.6 -35.59 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.75 34.58 5.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.49 35.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.074 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.4 25.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -130.82 90.73 39.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.61 8.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -118.92 11.14 12.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -125.47 143.09 51.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 21' ' ' VAL . 13.6 m -121.46 145.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.5 m -101.6 106.83 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.433 HG22 HG12 ' A' ' 50' ' ' ILE . 59.0 t -99.98 123.0 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 67' ' ' GLY . 8.7 m -99.09 157.64 16.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 66' ' ' THR . . . 131.5 165.9 11.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.9 mm? -47.98 153.4 1.18 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -17.22 37.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.33 -26.52 23.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -92.27 -41.41 10.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 68' ' ' LEU . 72.4 t -53.25 -50.82 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.54 -45.85 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -62.53 -37.17 85.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.13 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.551 HG23 HG13 ' A' ' 21' ' ' VAL . 41.0 mt -53.85 -52.2 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.79 -33.62 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.33 -33.34 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.687 ' CG2' HD13 ' A' ' 23' ' ' LEU . 64.3 mt -66.56 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.82 -30.09 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.29 -45.19 88.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.71 -35.31 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -50.41 -41.39 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 10.3 tt0 -75.28 -41.39 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.51 -38.43 84.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -75.09 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -51.16 -40.47 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.46 144.63 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.59 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -45.54 -43.56 12.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -56.18 -41.39 75.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.5 mtt -44.95 157.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.13 140.82 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 p -99.09 137.32 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.12 160.22 39.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 123.79 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.544 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.9 t -116.11 121.4 33.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.673 HD13 HG22 ' A' ' 79' ' ' ILE . 24.9 tp -120.87 119.4 32.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.0 t70 -55.93 143.63 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -71.94 -15.84 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -74.4 -8.12 55.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.538 HG21 ' HG3' ' A' ' 83' ' ' GLU . 21.7 m -124.25 -7.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.476 ' CD2' HD23 ' A' ' 23' ' ' LEU . 12.2 m170 -51.8 -57.42 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.71 90.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.33 -33.91 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 HD21 ' A' ' 23' ' ' LEU . 40.8 mt -88.19 -45.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.27 -40.03 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.23 -170.82 33.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.44 -67.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 tpp85 -100.56 20.38 15.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.82 46.69 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' ARG . 31.0 tttp -86.79 -57.07 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.78 -38.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.054 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.745 HD11 HD12 ' A' ' 50' ' ' ILE . 5.3 tp -81.5 -32.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.6 tpp85 -55.7 -55.28 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -50.86 -29.53 12.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -77.09 -45.99 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.2 mtm -57.25 -49.29 76.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -35.52 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -47.16 -57.76 4.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -102.38 3.64 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm 62.18 41.5 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 m -113.85 165.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.32 98.91 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.745 HD12 HD11 ' A' ' 39' ' ' ILE . 49.8 mt -78.44 131.02 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -119.44 111.31 17.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -81.29 155.13 72.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.43 6.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.89 174.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -38.7 74.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.88 26.66 23.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.65 151.36 82.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.06 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.77 11.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -123.46 89.84 50.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.77 9.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.302 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -117.58 11.91 13.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 t -128.04 143.55 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.22 137.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 m -92.55 102.29 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 52.4 t -90.48 131.72 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -109.06 159.96 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.72 173.43 13.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 68' ' ' LEU . 3.6 mm? -56.26 154.94 14.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -13.49 34.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -90.88 -29.62 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -88.73 -39.09 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.63 -52.5 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.3 pt-20 -49.07 -40.3 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.2 mt-10 -70.48 -37.9 74.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.21 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.544 HG23 ' CG1' ' A' ' 21' ' ' VAL . 47.6 mt -53.14 -55.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -46.37 -37.19 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -74.21 -42.03 60.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.673 HG22 HD13 ' A' ' 23' ' ' LEU . 88.2 mt -59.81 -59.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD23 ' OE1' ' A' ' 83' ' ' GLU . 12.5 mt -59.49 -31.92 69.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -56.64 -46.5 80.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 54.8 mt -70.36 -45.74 65.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.541 ' OE1' HD23 ' A' ' 80' ' ' LEU . 13.9 tt0 -35.59 -48.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -52.55 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -45.76 -41.35 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -77.32 -46.31 23.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.1 mt -54.58 -30.63 54.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.807 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA3' HD21 ' A' ' 68' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 9.6 mm-40 -89.81 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.18 -61.41 2.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -57.59 -19.1 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 6.5 mt-30 -78.24 -40.77 36.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.7 mtt -46.42 152.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.37 134.17 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -92.73 124.07 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -118.8 163.6 16.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -107.24 121.09 43.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.576 HG13 HG23 ' A' ' 76' ' ' ILE . 2.3 t -113.19 119.88 41.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.572 0.701 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 102.7 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.24 . . . . 0.0 112.335 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 31' ' ' ILE . 15.0 tp -120.55 119.2 32.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.15 142.27 56.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.414 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 49.9 p-80 -68.54 -11.97 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -74.68 -16.46 60.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' HIS . 34.8 m -119.06 -17.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . 5.9 m170 -34.9 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -53.33 -50.37 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -44.2 -40.2 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 63.3 mt -81.46 -49.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 29' ' ' ALA . 57.8 mt -45.42 -50.92 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.01 150.27 23.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.462 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.7 -64.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -105.34 24.81 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.06 62.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -92.55 -34.2 14.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -60.2 -32.63 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 50' ' ' ILE . 4.1 tp -85.95 -33.43 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.62 -49.78 67.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.05 -45.89 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.6 mtm -60.0 -52.2 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.32 -33.54 73.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -53.8 -54.59 36.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -103.71 7.74 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' MET . 43.2 mmtm 54.22 37.21 26.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.7 m -109.09 172.99 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -121.93 106.14 10.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.514 HD12 HD11 ' A' ' 39' ' ' ILE . 54.4 mt -92.1 108.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -102.22 108.99 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.446 ' HE2' HD23 ' A' ' 23' ' ' LEU . 34.7 m-85 -74.64 157.03 86.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.6 7.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.96 173.07 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.0 m -58.37 -13.55 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.89 20.72 9.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.61 148.31 61.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.546 0.689 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -129.66 89.77 45.64 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.3 Cg_endo -69.7 1.27 4.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.394 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.56 9.6 8.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 t -127.8 142.51 51.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.483 HG22 ' HB ' ' A' ' 21' ' ' VAL . 4.6 m -114.27 155.4 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -110.2 100.27 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.56 128.79 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.38 160.03 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.99 168.66 12.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.941 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 mm? -47.76 151.76 1.48 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -17.04 37.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.65 -26.55 22.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -91.8 -38.41 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 68' ' ' LEU . 77.9 t -56.01 -54.42 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -44.97 -47.44 11.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.58 -57.77 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.576 HG23 HG13 ' A' ' 21' ' ' VAL . 76.8 mt -44.11 -57.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -49.22 -43.72 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -69.91 -30.33 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.27 -58.33 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.34 -34.5 66.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.24 -48.66 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' GLU . 78.4 mt -64.27 -49.07 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.842 ' OE1' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -38.2 -54.62 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.13 -44.59 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 9.6 tp10 -59.37 -57.37 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -54.83 -65.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.842 HD12 ' OE1' ' A' ' 83' ' ' GLU . 12.5 mt -41.59 -49.52 4.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.62 140.72 33.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -42.53 -51.88 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -56.08 -43.27 77.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.97 -42.87 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.4 mtt -52.01 157.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -134.32 139.2 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -97.55 117.57 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -116.15 162.83 16.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.61 129.58 55.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.8 t -122.94 119.21 27.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.572 HD21 HD12 ' A' ' 31' ' ' ILE . 26.2 tp -117.4 117.22 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 30.0 t0 -47.9 142.72 4.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 10.6 t-160 -75.39 -14.11 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -76.87 -18.5 58.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 m -113.4 6.26 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.9 m170 -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.46 99.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.57 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 71.0 mtt180 -53.87 -35.8 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.572 HD12 HD21 ' A' ' 23' ' ' LEU . 91.4 mt -85.22 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -42.79 -51.52 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.26 153.4 25.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.8 -62.04 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.14 23.11 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.34 23.39 78.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -80.73 -48.02 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -41.88 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.864 HD11 HD13 ' A' ' 50' ' ' ILE . 10.2 tp -80.56 -16.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -74.15 -43.33 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -64.52 -33.41 75.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 94.9 mt -69.82 -53.16 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.0 mtm -52.77 -45.06 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.23 88.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.54 -60.77 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.32 4.27 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm 54.96 48.68 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.2 m -117.95 171.26 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.64 104.65 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.864 HD13 HD11 ' A' ' 39' ' ' ILE . 12.3 mt -85.67 144.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -132.45 116.76 17.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' N ' ' HD3' ' A' ' 51' ' ' ARG . 85.1 m-85 -88.88 151.12 46.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 123.6 10.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -72.76 178.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 m -64.11 -16.52 61.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.78 8.09 31.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.89 147.9 78.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.53 6.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.21 89.9 10.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.99 11.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -121.74 12.61 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 t -123.76 139.1 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.2 m -120.08 150.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.7 m -107.46 110.47 22.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.3 t -99.35 122.29 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.1 166.42 12.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.9 mm? -44.72 151.59 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -21.51 33.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.76 -30.56 22.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.44 -38.73 19.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 68' ' ' LEU . 60.0 t -60.28 -54.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -42.88 -42.41 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.02 -50.28 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.16 -58.09 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.497 HG23 ' CG1' ' A' ' 21' ' ' VAL . 61.4 mt -41.09 -52.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.68 -41.48 43.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.39 -36.51 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.81 -63.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.85 -36.69 49.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.98 -46.21 64.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.95 -38.77 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -42.96 -60.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.23 -49.9 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -48.24 -56.35 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 39.1 m-85 -61.4 -47.59 85.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 68.2 mt -52.55 -33.89 47.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.793 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.7 156.39 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -58.29 9.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.43 -37.74 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -56.99 -41.15 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 58.5 mtt -50.83 154.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 m -131.77 141.59 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p -96.97 121.3 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.12 159.59 24.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -108.75 111.47 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.488 HG11 HG23 ' A' ' 76' ' ' ILE . 2.6 t -107.46 119.1 51.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.83 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.596 2.198 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.644 HD13 HG22 ' A' ' 79' ' ' ILE . 26.5 tp -115.51 123.04 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 41.2 t0 -56.19 141.59 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 7.1 p80 -72.47 -12.26 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -79.45 -27.96 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.562 HG11 ' HG2' ' A' ' 83' ' ' GLU . 16.6 m -102.19 2.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.43 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.99 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -31.76 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.3 mt -91.97 -48.98 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.2 -50.18 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.15 131.42 5.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -36.54 -57.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -75.29 -29.72 60.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.45 8.85 52.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' ARG . 25.9 tttp -81.97 -38.0 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.24 -54.06 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.744 HD11 HD12 ' A' ' 50' ' ' ILE . 9.0 tp -62.56 -28.94 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' LYS . 9.0 tpt85 -63.91 -34.26 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -60.06 -47.08 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.71 -47.05 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -53.32 -32.25 48.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -82.97 -39.47 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.8 -52.75 55.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.08 11.39 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm 46.39 47.61 13.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.9 m -116.12 167.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -121.36 105.62 10.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.744 HD12 HD11 ' A' ' 39' ' ' ILE . 30.2 mt -91.66 116.13 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.47 111.01 23.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -80.66 151.83 71.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.57 9.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.478 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 11.4 pt20 -62.15 168.62 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -47.98 -56.54 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.84 24.69 7.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -69.69 151.04 96.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.073 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.74 24.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.89 89.89 23.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.16 8.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -118.75 12.81 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -128.28 136.99 51.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.9 m -119.66 147.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -102.19 105.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -95.19 118.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.179 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -102.57 149.73 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 166.59 11.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.9 mm? -40.39 148.14 0.35 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.93 35.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.81 -27.43 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -89.6 -36.52 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.1 t -58.91 -54.87 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -47.32 -43.87 23.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.56 -52.73 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 -46.5 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.488 HG23 HG11 ' A' ' 21' ' ' VAL . 75.9 mt -52.08 -55.85 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -42.65 -41.65 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.401 ' NE2' HD11 ' A' ' 82' ' ' LEU . 5.4 t60 -68.49 -44.51 74.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.644 HG22 HD13 ' A' ' 23' ' ' LEU . 70.1 mt -57.74 -60.56 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.62 -38.47 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -52.41 -47.27 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 35.6 mt -70.14 -49.03 54.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' HG2' HG11 ' A' ' 27' ' ' VAL . 1.2 tm-20 -40.58 -39.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -72.05 -45.95 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -57.57 -52.65 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 82' ' ' LEU . 32.7 m-85 -58.64 -54.93 41.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.5 mt -50.05 -50.05 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.819 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -96.34 146.62 24.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.42 -54.98 24.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -57.84 -39.46 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -58.31 -41.15 83.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.7 mtt -51.12 153.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.13 142.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -99.54 120.71 40.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.54 156.03 26.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -105.93 116.74 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 63' ' ' VAL . 2.2 t -110.62 119.34 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 101.27 0.88 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.65 HD13 HG22 ' A' ' 79' ' ' ILE . 13.9 tp -120.31 132.47 55.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.555 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 27.2 t0 -69.83 150.11 47.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 8.9 t-160 -74.55 -13.29 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -72.58 -38.55 67.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.561 HG21 ' HG3' ' A' ' 83' ' ' GLU . 19.2 m -94.35 -6.06 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 7.0 m170 -50.04 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -45.47 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -48.48 -31.92 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 53.1 mt -90.68 -51.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -44.42 -51.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.28 129.13 4.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.45 -61.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.082 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -74.97 -26.33 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.66 15.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -89.32 -38.39 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -51.91 -33.36 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.427 HD11 ' HB ' ' A' ' 50' ' ' ILE . 5.0 tp -82.25 -30.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.19 -56.37 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -43.81 42.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.14 -50.76 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' LYS . 28.1 mtm -53.59 -56.37 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -58.26 -46.9 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -39.38 -46.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 75' ' ' ALA . 26.6 m-85 -109.64 -0.49 18.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' MET . 35.2 mmtm 61.1 44.29 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.78 175.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -123.7 99.42 6.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.427 ' HB ' HD11 ' A' ' 39' ' ' ILE . 79.3 mt -83.31 133.3 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -124.81 121.7 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -92.37 153.22 42.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 115.01 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.48 -177.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -57.65 -39.42 76.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 46.61 1.61 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.99 145.66 31.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -34.84 13.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.84 91.13 50.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.57 8.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -118.99 13.86 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -126.84 146.03 50.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 21' ' ' VAL . 35.8 m -125.59 148.24 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -108.34 113.51 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.21 128.16 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.38 155.11 19.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.05 164.11 11.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.549 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.5 mm? -42.5 150.53 0.41 Allowed Pre-proline 0 C--N 1.328 -0.37 0 CA-C-O 121.549 0.69 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.09 32.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.217 . . . . 0.0 112.331 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -90.92 -29.64 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -86.81 -40.13 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 68' ' ' LEU . 72.0 t -59.85 -55.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.8 pt-20 -43.91 -47.15 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 39.3 mm-40 -65.83 -40.27 91.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -60.61 -45.31 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.494 HG23 ' CG1' ' A' ' 21' ' ' VAL . 90.0 mt -53.2 -58.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -44.58 -39.3 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.43 ' NE2' HD11 ' A' ' 82' ' ' LEU . 6.3 t60 -69.57 -41.66 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.65 HG22 HD13 ' A' ' 23' ' ' LEU . 82.6 mt -61.07 -55.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.514 HD23 ' OE1' ' A' ' 83' ' ' GLU . 18.0 mt -61.3 -35.57 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 3.1 t30 -53.41 -46.33 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD11 ' NE2' ' A' ' 78' ' ' HIS . 35.3 mt -74.45 -33.87 63.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.561 ' HG3' HG21 ' A' ' 27' ' ' VAL . 9.2 tt0 -49.94 -45.62 51.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -57.26 -41.95 80.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.08 -46.65 20.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 55.2 mt -57.67 -36.03 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.797 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -100.64 146.28 27.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.403 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.69 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -46.22 -39.8 10.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.4 mtt -41.3 146.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.35 139.59 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 p -95.11 116.1 28.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -114.48 158.32 21.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.71 132.48 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.684 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.9 t -122.92 123.67 26.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 31' ' ' ILE . 14.6 tp -120.64 125.93 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 27' ' ' VAL . 17.4 t0 -69.85 138.41 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 7.4 t-160 -63.04 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 -67.74 -16.94 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.797 HG21 ' HG3' ' A' ' 83' ' ' GLU . 26.5 m -115.6 -16.8 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 10.9 m170 -41.07 -67.92 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.21 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 2.2 mpt_? -48.51 -31.04 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.652 HD12 HD21 ' A' ' 23' ' ' LEU . 76.8 mt -92.17 -52.02 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mt -43.07 -52.4 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 95.03 125.14 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -33.96 -56.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 1.3 mpp_? -80.34 -25.57 39.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.22 22.56 22.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -90.64 -32.28 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.5 68.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 tp -83.55 -23.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -68.15 -48.7 64.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 37.1 pttt -58.8 -44.72 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 88.4 mt -57.89 -41.13 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtm -65.65 -55.26 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -59.78 -37.28 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -48.75 -55.16 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -100.93 4.52 42.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm 59.46 43.11 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.43 166.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.0 102.03 8.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.6 mt -84.41 127.25 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -113.2 116.33 29.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -87.33 150.79 49.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -67.46 -176.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -53.58 -52.87 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.95 40.57 3.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.9 144.04 27.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.42 23.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -131.98 93.28 27.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -1.02 7.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.89 12.06 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.46 142.51 51.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 21' ' ' VAL . 33.6 m -119.72 154.46 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.1 m -113.09 102.95 10.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.4 t -90.27 122.79 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.85 150.64 21.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.19 170.6 12.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.568 ' O ' HG23 ' A' ' 72' ' ' VAL . 2.9 mm? -53.88 155.15 6.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.14 36.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.9 -30.12 18.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -87.8 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 68' ' ' LEU . 71.8 t -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' VAL . 18.0 pt-20 -37.33 -44.82 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.93 -50.79 63.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.49 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.684 HG23 ' CG1' ' A' ' 21' ' ' VAL . 76.1 mt -51.41 -50.59 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -50.13 -40.89 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.74 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 23' ' ' LEU . 92.1 mt -66.6 -57.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.28 -34.72 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -54.25 -45.23 72.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.07 -30.3 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.797 ' HG3' HG21 ' A' ' 27' ' ' VAL . 16.6 tt0 -51.63 -53.34 39.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -66.99 -45.1 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -51.35 -38.72 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' A' ' 30' ' ' ARG . 20.5 m-85 -77.64 -47.72 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.03 -42.32 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 13.2 mt-10 -103.23 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.49 -60.06 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.24 -23.2 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 26.5 mt-30 -74.61 -30.47 61.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.0 mtt -51.83 155.64 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.38 134.74 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 p -88.91 125.98 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -126.12 160.61 29.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.85 127.12 55.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.664 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -118.2 122.66 30.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 100.87 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.813 HD23 ' CD2' ' A' ' 28' ' ' HIS . 11.0 tp -117.15 124.28 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.76 ' O ' HG22 ' A' ' 27' ' ' VAL . 20.8 t0 -62.29 129.23 39.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 32.6 p-80 -58.8 -13.49 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -78.4 -10.14 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 24' ' ' ASP . 26.7 m -117.6 -13.74 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.813 ' CD2' HD23 ' A' ' 23' ' ' LEU . 15.8 m170 -47.55 -67.89 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.44 -53.63 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -31.56 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.472 HG22 HD13 ' A' ' 39' ' ' ILE . 59.1 mt -86.98 -37.55 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.5 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.1 -144.33 17.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.07 -65.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.475 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 43.1 ttt-85 -105.32 16.05 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.63 36.25 17.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CD ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -92.5 -51.68 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.855 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.78 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.833 HD11 HD13 ' A' ' 50' ' ' ILE . 5.8 tp -85.69 -29.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -62.12 -55.88 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -45.82 -36.97 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.27 -35.45 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.4 mtm -67.2 -54.05 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.21 -25.66 67.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 46.2 tt0 -54.46 -49.69 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -114.07 6.76 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.83 43.35 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.99 157.77 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -111.43 112.21 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.833 HD13 HD11 ' A' ' 39' ' ' ILE . 13.1 mt -94.88 130.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -124.46 112.26 16.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -79.48 153.56 76.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.19 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -70.92 174.35 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.5 p -61.16 -15.76 37.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.45 1.47 30.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.14 147.89 98.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.594 0.712 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.9 3.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -111.05 90.34 11.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.73 3.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.282 . . . . 0.0 112.32 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.25 12.16 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.97 145.51 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 m -124.45 142.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -95.64 108.32 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.2 t -101.39 123.96 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -101.7 161.95 13.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.8 163.86 11.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.439 ' CD2' ' H ' ' A' ' 68' ' ' LEU . 3.6 mm? -46.08 155.0 0.55 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -15.86 37.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.91 -29.16 16.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.06 -38.53 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.17 -48.27 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -52.95 -44.04 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -46.82 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.664 HG23 ' CG1' ' A' ' 21' ' ' VAL . 31.4 mt -54.44 -56.32 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.46 -39.16 6.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -72.83 -38.48 67.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 23' ' ' LEU . 96.9 mt -61.19 -58.59 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.38 -32.28 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -56.06 -45.12 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 76.0 mt -76.01 -27.04 57.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.558 ' HG2' HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -61.19 -45.03 96.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -46.54 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.33 -38.55 80.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 13.6 m-85 -69.53 -59.28 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.25 -44.53 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.841 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -95.71 150.52 20.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mp -54.06 -50.5 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -63.98 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.92 -42.13 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 mtt -49.04 159.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.44 131.6 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -85.78 124.54 32.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.32 159.13 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -109.18 136.41 48.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -127.15 119.25 22.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.05 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.787 HD13 HG22 ' A' ' 79' ' ' ILE . 19.2 tp -119.79 124.56 46.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.518 ' O ' HG22 ' A' ' 27' ' ' VAL . 14.1 t0 -57.24 125.42 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 56.7 p-80 -61.12 -16.25 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.77 -18.09 64.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 24' ' ' ASP . 20.0 m -117.79 -9.37 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.6 m170 -45.01 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -52.47 -52.97 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 17.8 mmm180 -41.89 -44.89 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 53.6 mt -74.55 -53.07 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 29' ' ' ALA . 60.1 mt -41.88 -52.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.25 131.4 5.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.05 -60.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -73.34 -23.57 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.47 24.05 32.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -92.96 -30.17 15.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -57.51 -34.1 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.622 HD11 HD12 ' A' ' 50' ' ' ILE . 5.9 tp -86.24 -23.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -67.83 -49.33 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.55 -48.88 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.0 mtm -55.4 -48.23 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -66.99 -35.05 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.63 -58.68 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -97.1 8.6 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 53.58 42.59 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 m -113.72 175.74 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -126.15 97.57 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.622 HD12 HD11 ' A' ' 39' ' ' ILE . 80.0 mt -82.53 131.44 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -123.84 121.67 36.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CE2' HG12 ' A' ' 32' ' ' ILE . 42.8 m-85 -88.41 154.73 51.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 116.72 4.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.622 2.215 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -74.43 179.21 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -17.1 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.9 18.18 29.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.68 143.58 33.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -37.48 8.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -115.05 92.35 30.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.546 0.688 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 13.98 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.07 145.51 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.7 m -120.52 156.56 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -115.54 108.57 16.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.77 139.05 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -115.56 146.94 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.89 175.08 13.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.0 mm? -55.33 153.88 12.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.94 33.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.5 -31.47 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -89.46 -43.11 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 68' ' ' LEU . 79.7 t -54.69 -49.85 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -52.21 -41.51 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.82 -49.32 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.07 -53.85 37.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.53 HG23 ' CG1' ' A' ' 21' ' ' VAL . 96.4 mt -43.11 -55.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -48.83 -35.65 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -73.01 -38.61 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.787 HG22 HD13 ' A' ' 23' ' ' LEU . 33.9 mt -64.45 -60.88 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD23 ' OE1' ' A' ' 83' ' ' GLU . 11.7 mt -54.79 -35.82 64.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -54.22 -46.0 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.6 mt -70.91 -40.27 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.526 ' OE1' HD23 ' A' ' 80' ' ' LEU . 8.4 tt0 -40.12 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.74 -42.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.602 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 5.2 tp10 -59.73 -57.65 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 32.6 m-85 -53.22 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.45 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 13.2 mt -47.58 -36.36 10.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 3.3 mm-40 -105.38 143.8 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.9 -64.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.84 -19.56 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.478 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 19.8 mt-30 -80.78 -24.2 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.54 154.92 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.28 136.05 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 m -91.83 140.13 29.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.98 154.84 47.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.28 118.53 36.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.529 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.7 t -114.96 120.51 37.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.25 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.977 HD21 HD12 ' A' ' 31' ' ' ILE . 16.7 tp -120.83 109.23 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 27' ' ' VAL . 20.6 t0 -47.54 153.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -77.51 -26.65 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -68.52 -4.69 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG21 ' HG3' ' A' ' 83' ' ' GLU . 21.1 m -124.51 -6.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.7 m170 -52.48 -68.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.88 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 15.8 mmt180 -52.41 -32.67 40.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.977 HD12 HD21 ' A' ' 23' ' ' LEU . 84.6 mt -90.16 -51.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.5 mt -44.97 -46.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.64 167.49 26.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 -53.24 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 7.87 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.53 32.16 8.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' ARG . 41.6 tttt -94.3 -53.44 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -39.39 -33.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.005 HD11 HD12 ' A' ' 50' ' ' ILE . 3.2 tp -89.81 -30.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.8 tpt85 -56.31 -37.06 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 17.3 ptpt -71.46 -38.33 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.447 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -66.3 -44.77 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' LYS . 13.2 mtm -57.2 -56.45 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.13 -32.5 73.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 36.0 tt0 -46.35 -52.77 12.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -116.11 7.34 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' MET . 0.2 OUTLIER 62.61 40.93 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.899 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.45 154.49 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.41 100.92 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.005 HD12 HD11 ' A' ' 39' ' ' ILE . 35.7 mt -80.2 117.91 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.62 110.86 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 32' ' ' ILE . 75.2 m-85 -80.0 152.97 74.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.71 11.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.64 -178.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -66.75 -22.39 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.87 21.79 11.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.01 153.2 92.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.581 0.705 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.81 29.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.24 89.74 27.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.61 4.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -123.29 8.55 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 t -124.09 144.44 49.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -121.43 148.19 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.7 m -104.06 100.51 10.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.5 t -90.07 118.6 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -94.02 156.92 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.23 167.24 12.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.4 mm? -50.55 154.84 2.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.65 37.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.24 -26.13 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -91.38 -45.23 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 68' ' ' LEU . 77.8 t -52.71 -56.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.517 ' HA ' HD12 ' A' ' 76' ' ' ILE . 14.0 pt-20 -43.42 -48.7 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.9 81.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.529 HG23 ' CG1' ' A' ' 21' ' ' VAL . 49.6 mt -51.73 -57.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -45.83 -38.11 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -72.32 -40.78 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.648 HG22 HD13 ' A' ' 23' ' ' LEU . 81.9 mt -61.72 -58.17 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.15 -31.88 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 1.7 t30 -57.62 -46.95 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.49 -28.95 59.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.579 ' HG3' HG21 ' A' ' 27' ' ' VAL . 7.1 tt0 -55.1 -43.96 74.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.43 -47.15 71.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.43 -50.99 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 34.8 m-85 -60.75 -53.37 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -52.03 -42.35 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.804 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -99.58 153.67 18.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.03 -47.94 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.64 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.02 -16.14 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.7 mtt -68.82 156.11 38.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.61 152.02 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 p -103.28 122.17 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.49 164.3 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.59 125.74 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.635 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -118.57 124.28 28.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 100.32 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD13 ' CG2' ' A' ' 79' ' ' ILE . 21.1 tp -120.8 123.44 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.514 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 29.8 t0 -55.18 137.18 47.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.518 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 14.9 p80 -75.82 -17.29 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -71.45 -18.69 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.55 12.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.547 ' CD2' HD23 ' A' ' 23' ' ' LEU . 10.3 m170 -66.78 -61.03 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -61.49 -27.79 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.16 -46.08 68.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 59.6 mt -75.93 -37.98 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 29' ' ' ALA . 44.9 mt -49.86 -53.15 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.1 153.35 24.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.48 -66.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -103.16 24.88 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.64 38.66 61.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.8 mmmt -90.87 -55.21 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -45.54 -32.65 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.412 HD11 ' CD1' ' A' ' 50' ' ' ILE . 10.5 tp -89.02 -21.66 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LYS . 13.1 tpp85 -66.03 -45.85 79.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -59.79 -38.11 80.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.92 -43.06 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LYS . 22.2 mtm -64.29 -54.16 37.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.12 -52.78 63.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -105.8 3.91 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' MET . 28.6 mmtt 61.17 53.03 3.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.38 162.72 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -114.82 101.18 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.412 ' CD1' HD11 ' A' ' 39' ' ' ILE . 27.1 mt -83.32 144.62 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -131.33 120.63 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -88.92 158.1 47.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.09 4.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' SER . 51.8 mm-40 -70.91 164.4 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' GLN . 7.4 t -38.01 -58.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.49 44.63 3.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.65 144.35 27.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.592 0.71 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -43.68 2.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -115.6 91.0 27.96 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.69 10.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.66 14.21 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.18 139.98 52.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 63' ' ' VAL . 19.9 m -120.38 126.02 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -84.65 107.18 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -95.99 135.07 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -110.85 153.78 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.97 167.7 12.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.854 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.0 mm? -44.77 150.85 0.66 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.21 34.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.94 -27.51 24.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -87.67 -46.76 9.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 68' ' ' LEU . 93.2 t -47.49 -54.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -46.22 -47.41 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -60.05 -42.31 94.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.53 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.635 HG23 ' CG1' ' A' ' 21' ' ' VAL . 76.9 mt -46.99 -56.84 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -46.99 -36.45 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -74.22 -32.56 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.555 ' CG2' HD13 ' A' ' 23' ' ' LEU . 71.8 mt -70.11 -59.64 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.58 -29.95 62.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.16 -52.57 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLU . 88.8 mt -61.85 -48.15 81.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.64 ' OE1' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -35.03 -52.31 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.17 -43.9 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' LEU . 9.4 mt-10 -59.49 -36.63 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.84 -54.18 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.64 HD12 ' OE1' ' A' ' 83' ' ' GLU . 49.0 mt -57.18 -34.28 68.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.796 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -100.79 155.76 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.18 -63.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -45.96 -39.02 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.45 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.2 mtt -52.21 151.14 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.24 137.54 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 p -90.11 118.18 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -116.69 156.8 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.67 119.74 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.1 t -112.18 119.02 44.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.616 0.722 . . . . 0.0 111.18 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 101.82 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.744 HD23 ' CD2' ' A' ' 28' ' ' HIS . 11.2 tp -119.28 128.62 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.718 ' O ' HG22 ' A' ' 27' ' ' VAL . 32.1 t0 -66.73 137.03 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -63.18 -11.83 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt-85 -78.03 -5.87 52.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 24' ' ' ASP . 32.6 m -123.47 -24.56 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.744 ' CD2' HD23 ' A' ' 23' ' ' LEU . 12.4 m170 -34.43 -65.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.22 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB3' ' CG ' ' A' ' 86' ' ' TYR . 32.7 mmt180 -47.92 -28.57 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.647 HD12 HD21 ' A' ' 23' ' ' LEU . 74.5 mt -93.68 -49.51 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.5 -48.9 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.31 -149.96 19.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.6 -64.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.44 21.26 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.47 22.32 67.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -84.64 -30.79 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.72 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.785 HD11 HD13 ' A' ' 50' ' ' ILE . 3.4 tp -75.89 -36.37 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.68 -28.92 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -61.41 -54.58 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -61.07 -41.52 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.2 mtm -57.15 -42.19 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.27 -29.46 42.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.42 -52.09 55.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -114.15 6.57 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.45 44.75 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.4 163.63 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.46 109.7 17.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.785 HD13 HD11 ' A' ' 39' ' ' ILE . 15.3 mt -89.91 117.79 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 112.2 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -82.58 150.2 62.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 127.69 14.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -83.04 163.56 20.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -46.34 -26.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.56 32.61 7.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.97 149.34 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -31.75 20.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.371 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.45 90.29 51.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -4.8 14.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -118.87 14.22 13.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.41 140.22 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 m -118.29 141.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.6 m -100.66 106.33 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -95.19 137.23 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -114.31 145.86 41.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . 140.64 161.61 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.543 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.8 mm? -37.67 152.57 0.13 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.702 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.41 31.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -88.24 -26.37 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.51 -34.52 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.4 t -66.03 -49.74 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -50.28 -39.37 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -71.74 -38.87 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.4 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.53 HG23 ' CG1' ' A' ' 21' ' ' VAL . 85.2 mt -50.02 -55.35 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -48.75 -38.77 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.415 ' NE2' HD11 ' A' ' 82' ' ' LEU . 4.8 t60 -69.76 -35.54 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 HD13 ' A' ' 23' ' ' LEU . 79.5 mt -65.57 -52.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.67 -30.71 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -59.65 -45.54 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.415 HD11 ' NE2' ' A' ' 78' ' ' HIS . 44.3 mt -78.42 -30.14 47.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.419 ' HG3' HG21 ' A' ' 27' ' ' VAL . 12.9 tt0 -51.41 -44.4 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -73.85 -49.54 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.9 -39.39 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.448 ' CG ' ' HB3' ' A' ' 30' ' ' ARG . 17.5 m-85 -74.23 -48.37 29.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.09 -37.78 35.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.822 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.92 156.15 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.74 -57.18 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.22 -40.62 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.21 -36.56 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.1 mtt -52.53 152.36 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -130.37 141.91 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 p -96.57 118.58 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -115.32 141.78 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.28 110.49 22.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.702 HG13 HG23 ' A' ' 76' ' ' ILE . 2.9 t -100.86 119.66 57.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 98.98 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.743 HD13 HG22 ' A' ' 79' ' ' ILE . 20.4 tp -121.04 124.41 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 39.7 t0 -62.32 143.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.557 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 12.4 t60 -73.04 -10.96 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -77.29 -13.45 59.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 ' HG3' ' A' ' 83' ' ' GLU . 27.7 m -119.53 -9.35 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 20.3 m170 -50.75 -71.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -40.39 58.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -54.26 -44.36 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' CD1' HD21 ' A' ' 23' ' ' LEU . 30.1 mt -75.86 -37.6 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.617 HD11 ' CD2' ' A' ' 52' ' ' PHE . 84.6 mt -69.02 -28.13 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.97 -115.27 2.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.54 -174.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -51.9 -16.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 158.22 33.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' ARG . 39.6 ttmt -94.83 -58.63 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.58 -32.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 tp -88.92 -26.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LYS . 3.0 tpm_? -63.97 -50.21 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 28.3 pttt -53.03 -39.3 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -65.63 -40.51 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.2 mtm -60.87 -58.12 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.81 -35.62 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -49.61 -55.57 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.35 10.11 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 54.99 38.11 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.51 -178.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -132.45 102.05 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 mt -93.8 110.65 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -107.14 110.34 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CD2' HD11 ' A' ' 32' ' ' ILE . 51.6 m-85 -74.7 149.56 85.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.666 0.746 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.86 9.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.281 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.93 -178.16 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.2 p -53.44 -47.78 69.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.03 44.01 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 146.29 32.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.569 0.7 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -31.52 20.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.748 2.299 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.3 m-20 -129.18 92.78 38.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.3 Cg_endo -69.73 -2.83 10.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -121.36 12.73 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.2 t -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 21' ' ' VAL . 35.3 m -114.61 155.82 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -109.9 108.94 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.37 121.15 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -99.53 158.25 15.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.22 170.87 12.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.7 mm? -55.03 155.01 9.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.15 37.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.62 -27.26 23.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.71 -38.07 12.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 68' ' ' LEU . 98.0 t -61.31 -55.77 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 26.0 pt-20 -39.6 -46.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 21.2 mt-10 -66.75 -46.68 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.29 73.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.702 HG23 HG13 ' A' ' 21' ' ' VAL . 12.8 mt -51.43 -49.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -53.72 -47.57 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 82' ' ' LEU . 24.9 t60 -59.87 -38.23 81.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.743 HG22 HD13 ' A' ' 23' ' ' LEU . 75.3 mt -62.03 -58.48 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.8 -32.64 69.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -57.13 -50.52 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 78' ' ' HIS . 20.2 mt -66.15 -47.39 74.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.677 ' HG3' HG21 ' A' ' 27' ' ' VAL . 26.8 tt0 -39.46 -53.21 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.69 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.3 -43.79 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -75.76 -44.08 43.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.9 mt -50.6 -48.18 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -102.43 141.83 34.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.876 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -58.5 108.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.06 -154.57 52.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -39.18 135.63 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -101.58 -49.03 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.47 177.34 22.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' ILE . 5.9 mmt85 -74.26 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.407 HG23 ' O ' ' A' ' 8' ' ' ARG . 1.8 pp -155.54 175.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 65.3 t -102.0 -34.65 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.51 -171.68 29.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -102.3 147.77 26.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -51.47 -59.04 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.66 -37.64 73.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -57.25 -29.89 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.1 mtt -59.54 151.85 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -127.94 134.04 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.6 p -85.24 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -126.95 161.5 28.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.06 118.43 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.741 HG13 HG23 ' A' ' 76' ' ' ILE . 2.4 t -110.24 122.17 39.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 101.64 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.41 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD13 HG22 ' A' ' 79' ' ' ILE . 16.3 tp -120.79 130.29 53.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.24 141.86 54.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -67.08 -14.0 62.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -78.55 -15.48 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 83' ' ' GLU . 19.5 m -118.65 7.55 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -64.1 -69.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -53.95 -49.71 68.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -44.87 -37.98 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 65.9 mt -83.8 -45.91 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 29' ' ' ALA . 20.2 mt -52.73 -38.14 26.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.53 -154.0 21.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.12 -62.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -108.4 23.95 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.52 32.37 34.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 tptt -90.04 -52.8 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -47.29 -31.67 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.613 HD11 ' CD1' ' A' ' 50' ' ' ILE . 10.0 tp -91.16 -18.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -70.56 -40.56 73.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -67.15 -35.42 79.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.2 mt -67.95 -42.01 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.2 mtm -61.34 -54.97 36.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.09 -34.12 73.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -51.72 -55.5 19.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.85 4.43 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' MET . 36.3 mmtt 57.98 43.36 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.69 175.31 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.1 97.12 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.613 ' CD1' HD11 ' A' ' 39' ' ' ILE . 84.9 mt -80.18 126.46 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -117.68 101.48 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -70.39 150.25 95.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD3' HG12 ' A' ' 63' ' ' VAL . 53.2 Cg_endo -69.81 126.84 13.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.299 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.419 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 13.5 pt20 -73.99 167.78 20.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.9 m -47.93 -51.42 23.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 21.16 11.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -74.38 147.69 85.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.579 0.705 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.2 27.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -133.77 89.81 29.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -0.58 7.12 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.07 10.88 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 t -128.24 140.43 51.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.412 HG12 ' HD3' ' A' ' 53' ' ' PRO . 12.4 m -121.4 133.99 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 m -91.44 113.01 25.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 50' ' ' ILE . 86.0 t -105.03 131.5 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 157.64 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.71 166.96 11.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.462 ' CD2' ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -46.57 153.52 0.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.48 36.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.54 -30.54 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -86.42 -41.72 14.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -54.22 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 14.9 pt-20 -45.04 -47.47 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 7.5 mm-40 -62.19 -43.08 99.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.64 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.741 HG23 HG13 ' A' ' 21' ' ' VAL . 56.8 mt -53.63 -58.98 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -46.32 -36.15 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -74.31 -32.14 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.574 HG22 HD13 ' A' ' 23' ' ' LEU . 92.0 mt -68.1 -57.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -56.08 -32.8 64.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -71.06 -29.82 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.621 ' HG3' HG21 ' A' ' 27' ' ' VAL . 23.2 tt0 -55.9 -57.25 12.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -57.42 -61.25 2.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -40.07 -53.04 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -61.97 -54.81 36.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.4 mt -45.26 -48.71 12.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . -37.17 -34.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -104.05 67.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.0 p -131.4 93.73 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -112.44 146.86 18.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 97.21 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.679 2.252 . . . . 0.0 112.373 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 97.1 p -59.88 159.64 8.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.7 t -55.92 -49.03 74.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -88.27 117.37 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 m -110.38 170.95 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.67 -162.89 11.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.548 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -127.15 98.74 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -128.18 151.85 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -166.13 83.7 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -34.78 144.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.909 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.98 -176.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.2 t -104.33 -40.35 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.29 -164.66 42.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -107.1 142.16 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 mp -48.72 -66.64 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -42.89 -46.03 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.05 -37.15 71.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.0 mtt -52.04 150.52 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -129.42 144.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -95.85 128.18 42.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -125.02 160.97 27.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.15 114.08 25.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.637 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.3 t -110.34 121.18 42.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 ' CG2' ' A' ' 79' ' ' ILE . 23.7 tp -118.35 123.29 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.638 ' O ' HG22 ' A' ' 27' ' ' VAL . 37.9 t0 -59.76 127.17 30.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.593 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 3.7 t-160 -59.33 -24.65 63.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 mmp_? -62.72 -18.0 61.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 24' ' ' ASP . 17.5 m -117.09 -15.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.4 m170 -40.06 -70.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.857 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -54.19 -49.74 68.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -46.3 -33.35 3.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.583 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 75.6 mt -87.48 -46.17 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.857 HD12 ' HA ' ' A' ' 29' ' ' ALA . 22.0 mt -47.78 -50.16 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.54 158.33 33.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.09 -55.89 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -96.75 21.63 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.08 30.59 64.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -88.01 -44.15 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -49.97 -35.25 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 tp -89.74 -23.0 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -64.69 -41.05 96.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.31 -34.7 78.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.44 -46.06 77.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.37 -48.74 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.43 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -55.63 -57.39 12.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.517 ' O ' HG13 ' A' ' 48' ' ' VAL . 36.9 m-85 -99.72 12.11 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt 47.86 47.66 18.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 46' ' ' PHE . 32.4 m -120.5 165.95 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -115.37 99.53 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.4 mt -82.89 110.43 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -104.0 106.27 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.46 154.06 85.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 123.09 9.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -73.81 174.33 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 p -51.89 -42.32 62.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 43.06 2.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -99.94 148.27 34.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.08 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.47 25.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.74 89.6 45.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -2.94 11.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -119.75 9.4 11.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.9 t -123.13 137.01 55.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.12 141.72 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.8 m -100.01 101.08 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.26 129.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -106.83 157.75 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.99 168.66 12.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.8 mm? -48.78 151.55 2.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.79 37.1 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -87.01 -27.45 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -90.25 -39.26 12.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.3 t -56.03 -53.96 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.82 -44.72 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -64.84 -42.62 94.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -55.03 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.637 HG23 ' CG1' ' A' ' 21' ' ' VAL . 83.9 mt -45.52 -57.11 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -44.26 -38.92 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -71.74 -37.91 70.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.793 ' CG2' HD13 ' A' ' 23' ' ' LEU . 93.2 mt -62.69 -55.36 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.68 -33.38 73.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.49 -44.39 76.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 53.3 mt -76.98 -40.51 46.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -41.13 -44.74 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.31 -69.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.8 tp10 -42.52 -57.89 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 82' ' ' LEU . 5.4 m-85 -45.26 -54.75 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.441 HD21 ' OD2' ' A' ' 24' ' ' ASP . 14.9 mt -52.93 -45.96 67.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . -42.05 -32.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.93 39.88 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 87' ' ' LEU . 68.0 m -38.15 -41.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.57 -159.61 8.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 118.31 5.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m -51.53 153.14 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.3 t -115.52 -46.09 2.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -111.85 -48.87 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.927 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 p -69.75 112.67 6.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.33 104.45 2.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -40.49 120.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.821 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -148.66 144.18 26.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.34 92.16 0.45 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 9' ' ' ILE . 16.6 mmt-85 -89.27 178.3 6.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 8' ' ' ARG . 1.8 pp -157.56 179.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -102.04 -39.17 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.92 -179.09 33.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -96.15 150.87 20.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.29 -66.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -47.85 -43.18 28.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -53.66 -31.67 48.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.56 154.03 18.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.78 144.37 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.8 p -95.81 133.5 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.7 ' CD ' HG11 ' A' ' 72' ' ' VAL . 23.0 mt-10 -133.71 140.48 47.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -94.95 115.92 28.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.644 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.1 t -108.83 121.69 42.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.656 0.741 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.37 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.594 HD13 ' CG2' ' A' ' 79' ' ' ILE . 15.4 tp -120.37 124.62 45.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -64.22 140.55 58.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -66.5 -12.0 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -74.01 -29.85 62.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.23 -16.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -43.12 -63.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.11 -53.68 55.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -42.37 -37.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 HD21 ' A' ' 23' ' ' LEU . 97.5 mt -83.2 -51.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.8 mt -43.14 -52.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 93.09 127.02 4.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -34.17 -58.2 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -74.93 -28.07 60.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.28 22.07 23.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.29 -29.45 15.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -56.98 -28.55 62.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 tp -89.66 -20.16 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -73.01 -46.02 54.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -58.64 -35.58 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.75 -47.6 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 mtm -58.73 -44.78 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.55 -37.05 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -50.91 -55.9 14.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -96.46 0.57 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 63.42 36.18 11.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.08 173.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -126.93 93.45 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.3 mt -80.55 135.87 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -128.38 114.76 17.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -78.87 151.25 76.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.672 0.749 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.27 2.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -59.14 176.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.7 p -53.86 -51.83 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.58 36.08 3.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.39 146.51 34.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -33.58 16.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.75 89.72 52.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.14 15.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.56 12.47 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.0 t -127.61 141.79 51.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.61 133.45 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.6 m -89.23 107.32 18.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -98.93 123.55 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -104.52 161.5 14.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.47 168.84 12.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -47.14 151.53 1.2 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -19.38 36.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -84.39 -30.84 25.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -85.94 -39.18 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.7 HG11 ' CD ' ' A' ' 19' ' ' GLU . 20.4 t -59.07 -51.48 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -46.37 -39.87 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.68 -50.1 22.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.33 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.644 HG23 ' CG1' ' A' ' 21' ' ' VAL . 48.9 mt -50.3 -52.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -53.47 -42.76 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -65.89 -30.16 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.594 ' CG2' HD13 ' A' ' 23' ' ' LEU . 97.0 mt -68.94 -61.96 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD23 ' OE1' ' A' ' 83' ' ' GLU . 10.6 mt -53.83 -25.0 17.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.18 -47.58 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.77 -36.09 62.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' OE1' HD23 ' A' ' 80' ' ' LEU . 10.2 tt0 -51.08 -40.57 58.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -71.54 -44.4 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.91 -49.06 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.36 -49.31 64.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.49 -36.05 61.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -23.65 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -99.64 59.81 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 t -112.92 41.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.0 147.82 12.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 120.49 7.27 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.375 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 86.9 p -128.65 89.31 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.4 t -64.7 123.52 19.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.417 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -112.05 159.68 18.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.811 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -116.71 143.9 45.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.37 171.33 44.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -108.37 151.86 25.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -118.92 125.5 49.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.79 60.21 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.727 ' O ' HG23 ' A' ' 9' ' ' ILE . 7.4 mmp_? -83.91 163.3 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 8' ' ' ARG . 4.9 pt -165.17 174.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 t -108.15 -38.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.27 -170.99 30.56 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -108.11 137.9 45.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 mt -41.25 -53.44 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -59.81 -41.92 92.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -58.84 -33.09 70.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.0 mtt -58.98 154.3 15.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 67' ' ' GLY . 19.7 m -124.14 139.14 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -97.06 109.59 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -105.72 162.69 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -116.83 113.99 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.644 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.0 t -105.54 122.05 44.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 99.07 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.628 2.219 . . . . 0.0 112.33 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD21 HD12 ' A' ' 31' ' ' ILE . 13.7 tp -117.22 123.93 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.534 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 28.8 t0 -55.08 151.58 8.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.513 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 12.4 t-160 -78.45 -13.55 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -79.14 -28.15 42.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.7 m -101.46 -9.59 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 8.5 m170 -47.88 -71.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.68 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -53.39 -37.58 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.711 HD12 HD21 ' A' ' 23' ' ' LEU . 65.4 mt -86.08 -48.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.4 mt -45.12 -50.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.83 175.37 26.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.36 -59.04 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.076 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -106.34 15.68 25.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.51 27.62 50.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -88.57 -48.04 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.19 -41.77 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 50' ' ' ILE . 7.5 tp -77.59 -27.67 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -59.04 -53.99 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -55.88 -30.23 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 91.2 mt -73.1 -40.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.1 mtm -66.42 -55.19 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.25 -35.7 74.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -50.8 -54.2 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -103.21 5.0 37.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' MET . 25.6 mmtm 57.44 45.59 19.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.5 m -119.26 156.35 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -109.37 100.06 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.553 ' CD1' HD11 ' A' ' 39' ' ' ILE . 62.5 mt -84.27 129.13 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -119.4 111.31 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.27 155.36 76.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 121.99 8.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -66.86 176.46 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.5 p -59.32 -29.21 67.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.92 26.53 17.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.5 147.47 63.72 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.02 26.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -127.2 89.6 51.29 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.562 0.696 . . . . 0.0 110.852 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.4 Cg_endo -69.77 -1.95 9.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -122.03 12.53 10.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.9 t -127.59 144.44 51.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.8 m -123.92 146.94 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.7 m -103.32 101.05 10.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 50' ' ' ILE . 99.7 t -93.46 124.11 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.03 155.26 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 17' ' ' VAL . . . 133.66 165.81 11.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.9 mm? -46.82 153.08 0.85 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -17.73 37.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -86.04 -33.36 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -86.07 -46.55 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -49.49 -46.19 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.1 pt-20 -56.43 -42.45 78.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 5.9 mm-40 -65.86 -39.78 91.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.54 -53.99 49.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.644 HG23 ' CG1' ' A' ' 21' ' ' VAL . 71.2 mt -44.54 -55.11 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -45.65 -44.66 13.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.57 -35.43 79.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.621 ' CG2' HD13 ' A' ' 23' ' ' LEU . 96.9 mt -66.28 -55.2 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.83 -34.68 71.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -56.22 -44.64 79.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.1 mt -75.58 -29.27 59.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.6 -46.94 67.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -70.83 -55.58 8.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -42.72 -44.58 4.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -73.44 -52.44 13.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -46.4 -42.5 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -39.8 -33.47 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.64 48.36 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.3 p -54.95 -44.56 74.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.24 146.41 18.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 124.99 11.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.741 2.294 . . . . 0.0 112.31 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 t -117.97 139.17 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.4 p -69.99 166.03 20.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -130.01 129.19 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 t -130.43 139.07 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.6 48.74 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -47.9 123.74 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -41.71 -44.33 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.42 145.27 2.71 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.453 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.646 ' O ' HG23 ' A' ' 9' ' ' ILE . 2.2 mmp_? -83.5 159.82 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 8' ' ' ARG . 2.4 pp -161.9 168.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.1 t -104.37 -45.79 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.44 -172.71 25.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.23 144.42 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.5 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.82 -16.66 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -85.53 -27.43 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.09 161.67 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.78 140.08 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -96.16 119.49 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.37 160.09 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -109.39 117.33 33.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -111.92 120.29 42.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 102.32 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.331 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.643 HD21 HD12 ' A' ' 31' ' ' ILE . 21.0 tp -116.89 123.54 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.669 ' O ' HG22 ' A' ' 27' ' ' VAL . 34.7 t0 -57.92 125.53 23.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -58.42 -16.21 13.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -75.22 -18.86 60.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 24' ' ' ASP . 22.3 m -110.33 -19.72 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -37.28 -70.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.77 -46.64 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -48.55 -40.52 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.643 HD12 HD21 ' A' ' 23' ' ' LEU . 41.3 mt -80.26 -52.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -42.98 -50.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 89.55 134.27 5.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -37.12 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.766 0.317 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -13.35 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.77 32.1 30.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -94.52 -31.71 13.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.751 0.31 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.4 tp -83.31 -22.12 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -69.72 -49.39 53.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 54.6 pttt -58.87 -43.24 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 81.6 mt -58.89 -44.1 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 29.6 mtm -63.26 -54.77 32.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -58.91 -38.27 78.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -49.17 -57.04 7.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -98.77 3.95 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 22.9 mmtp 58.6 42.46 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.26 164.92 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -115.65 96.94 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.417 HG12 HG22 ' A' ' 65' ' ' VAL . 82.6 mt -80.55 118.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.58 114.1 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -82.3 153.96 69.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.44 3.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 8.1 pt20 -58.42 177.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -54.76 -55.33 31.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.18 21.49 10.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -67.29 146.87 98.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.69 20.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -131.05 89.74 41.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -1.51 8.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.94 10.32 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.95 139.18 52.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 m -115.9 130.5 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.8 m -90.11 103.0 15.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.417 HG22 HG12 ' A' ' 50' ' ' ILE . 88.2 t -94.13 132.02 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.51 159.07 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.78 164.92 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.7 mm? -47.61 152.85 1.15 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 -17.91 37.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.19 -30.92 30.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.27 -44.0 10.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 68' ' ' LEU . 26.0 t -49.31 -48.34 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.53 -47.84 66.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -60.95 -43.5 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.49 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.438 HG23 ' CG1' ' A' ' 21' ' ' VAL . 53.3 mt -45.78 -57.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -42.8 -47.21 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -64.01 -39.22 93.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.536 HG22 HD13 ' A' ' 23' ' ' LEU . 98.6 mt -61.09 -58.08 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.2 -32.66 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -61.22 -45.97 92.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.2 mt -69.28 -32.85 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' HG21 ' A' ' 27' ' ' VAL . 19.4 tt0 -56.56 -60.83 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -32.77 73.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.67 -39.49 94.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.98 -52.06 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -56.93 -33.62 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.91 -21.19 63.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -84.21 40.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.8 t 45.16 39.58 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.86 -159.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 142.18 47.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.0 m 69.22 36.46 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 m -124.7 103.81 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -76.55 172.61 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -82.57 162.69 21.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.38 159.21 22.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -139.24 145.28 39.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.7 p -82.77 99.13 9.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.92 -155.98 31.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.556 ' O ' HG23 ' A' ' 9' ' ' ILE . 18.4 mmt-85 -87.76 164.68 15.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.641 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.4 pp -159.62 161.59 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.21 -35.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.11 -172.62 55.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -96.43 143.38 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.32 -58.66 5.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.64 -35.72 55.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -66.92 -27.97 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.9 mtt -57.62 149.3 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.22 147.09 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m -107.56 117.95 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -114.52 161.06 18.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.09 121.95 45.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -115.58 120.12 36.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 104.15 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.384 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD23 ' HE1' ' A' ' 52' ' ' PHE . 44.2 tp -120.41 131.74 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.515 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 45.7 t0 -62.16 145.76 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -78.17 -16.25 58.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -76.9 -20.15 56.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.5 m -112.83 10.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 7.9 m170 -66.97 -69.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.05 -37.96 62.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -56.99 -43.49 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.77 -44.04 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.469 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.7 mt -52.19 -49.66 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.19 127.03 4.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.43 -58.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -74.81 -28.21 60.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.57 16.81 38.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.482 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 14.0 tptm -87.81 -40.45 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.35 -62.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.676 HD11 HD12 ' A' ' 50' ' ' ILE . 6.6 tp -53.88 -26.43 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 37' ' ' LYS . 5.4 tpp180 -61.87 -32.29 72.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -61.23 -50.8 71.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.6 mt -68.21 -39.98 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.86 -45.07 95.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.824 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -36.58 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.75 -54.17 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -98.99 2.43 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm 57.91 40.06 26.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -112.02 163.3 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -117.93 101.91 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.676 HD12 HD11 ' A' ' 39' ' ' ILE . 56.7 mt -84.72 106.38 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -95.87 106.82 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE2' HG12 ' A' ' 32' ' ' ILE . 59.2 m-85 -72.74 150.48 90.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.15 4.91 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.367 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.622 ' HG2' ' HB2' ' A' ' 57' ' ' ALA . 7.1 pt20 -53.09 -177.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.6 m -65.32 -48.19 73.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.65 19.37 33.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 54' ' ' GLN . . . -68.95 148.61 97.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.598 0.713 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.87 23.05 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.82 89.73 38.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.54 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -118.52 14.04 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t -128.08 138.69 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 21' ' ' VAL . 34.6 m -120.82 147.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.1 m -101.22 99.8 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.5 t -90.16 120.17 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -98.7 157.61 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.82 169.97 12.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.9 mm? -53.73 156.1 5.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.595 0.712 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -11.99 32.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.51 -33.17 15.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -86.2 -40.11 15.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 68' ' ' LEU . 53.4 t -57.72 -54.24 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -47.36 -46.4 25.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.69 79.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG23 ' CG1' ' A' ' 21' ' ' VAL . 77.6 mt -48.91 -58.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -42.66 -44.51 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.558 ' NE2' HD11 ' A' ' 82' ' ' LEU . 4.2 t60 -66.78 -44.68 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.74 -60.55 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -54.27 -38.54 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -55.56 -50.04 71.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.558 HD11 ' NE2' ' A' ' 78' ' ' HIS . 66.8 mt -64.64 -34.21 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -51.01 -57.86 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -62.34 -37.41 85.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.19 -47.32 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -71.5 -47.15 57.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.4 mt -47.25 -43.15 21.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.08 -30.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.98 53.29 2.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.6 t -49.27 -44.82 44.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.3 -164.63 11.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -15.59 36.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.351 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t -86.68 151.51 23.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 p -141.37 132.72 26.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -105.08 96.92 6.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.3 m -61.48 103.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.76 -104.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -129.45 177.19 7.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -112.84 164.45 13.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.81 110.85 2.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -91.42 171.71 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -149.58 -178.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.1 t -104.35 -27.59 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.17 -171.16 17.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -104.81 149.92 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -50.96 -42.4 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -55.42 -39.96 70.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mtt -48.51 156.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.04 139.53 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 p -87.63 135.8 33.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HB2' HG11 ' A' ' 72' ' ' VAL . 6.4 mt-10 -134.24 142.34 47.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.19 120.3 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.6 t -113.46 119.82 41.02 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.73 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.85 1.07 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.779 HD21 HD12 ' A' ' 31' ' ' ILE . 13.8 tp -120.94 131.83 54.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' O ' HG22 ' A' ' 27' ' ' VAL . 7.7 t0 -69.94 142.05 52.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -69.37 -13.26 62.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -75.26 -15.42 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG21 ' HG3' ' A' ' 83' ' ' GLU . 23.7 m -117.77 -13.81 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -42.22 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.72 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mmt-85 -53.15 -31.42 42.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.779 HD12 HD21 ' A' ' 23' ' ' LEU . 80.1 mt -90.39 -38.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.6 -38.53 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.25 -153.32 23.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.34 -73.51 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -91.81 15.36 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.23 34.12 27.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.02 -49.79 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.31 -29.17 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 50' ' ' ILE . 11.0 tp -93.18 -21.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -65.92 -48.08 72.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -58.8 -37.22 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.2 mt -64.91 -44.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.2 mtm -61.53 -55.43 31.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.15 -35.98 76.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -50.94 -53.09 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -103.06 12.01 36.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 50.25 49.49 20.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.57 176.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -131.25 100.61 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.5 HD13 HD11 ' A' ' 39' ' ' ILE . 13.8 mt -82.86 138.14 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 52' ' ' PHE . 2.0 tmm_? -123.8 120.44 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' N ' ' HD2' ' A' ' 51' ' ' ARG . 54.0 m-85 -90.59 149.68 41.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 126.51 13.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.276 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 20.9 pt20 -72.16 168.38 18.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.4 m -50.41 -51.2 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.08 5.64 53.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 54' ' ' GLN . . . -65.38 147.05 98.86 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.605 0.717 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -42.91 2.95 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -115.61 89.23 22.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.568 0.699 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -0.04 6.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.63 13.1 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.94 138.49 52.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -120.95 152.36 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -109.61 108.04 18.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 50' ' ' ILE . 77.2 t -98.61 124.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -99.51 158.35 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.1 166.11 12.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.6 mm? -42.64 153.42 0.32 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.98 30.09 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -29.66 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -82.52 -38.17 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 68' ' ' LEU . 76.2 t -63.19 -47.82 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 6.4 pt-20 -52.75 -38.09 60.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 44.6 mt-10 -71.85 -39.05 69.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.18 -51.11 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.47 HG23 ' CG1' ' A' ' 21' ' ' VAL . 39.5 mt -46.26 -54.21 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -42.94 -40.21 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.427 ' NE2' HD11 ' A' ' 82' ' ' LEU . 7.0 t60 -71.93 -44.99 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.732 HG22 HD13 ' A' ' 23' ' ' LEU . 66.4 mt -56.59 -52.82 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.618 HD23 ' OE1' ' A' ' 83' ' ' GLU . 11.8 mt -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.57 -49.08 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD11 ' NE2' ' A' ' 78' ' ' HIS . 28.0 mt -70.52 -29.01 65.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.618 ' OE1' HD23 ' A' ' 80' ' ' LEU . 30.8 tt0 -53.44 -44.34 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -73.2 -47.34 44.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -54.24 -58.95 5.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -56.13 -51.83 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.41 -41.94 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.67 -25.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -95.49 56.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.2 t -86.47 -44.79 11.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -123.83 -160.91 10.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 110.14 2.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.2 p -86.48 -54.54 4.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.4 m -46.93 155.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -142.0 160.11 40.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 p -168.0 107.08 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.9 87.38 1.63 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -78.36 156.56 29.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -147.09 156.7 43.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.33 130.15 2.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' ILE . 9.7 mmm-85 -51.56 170.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.407 HG23 ' O ' ' A' ' 8' ' ' ARG . 1.4 pp -156.69 174.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.13 -45.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.26 -167.54 23.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.43 147.66 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 mt -49.15 -60.95 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -53.16 -46.51 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -50.44 -43.14 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 11.1 mtt -47.42 160.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.64 138.62 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 p -88.84 121.82 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.529 ' HB2' HG11 ' A' ' 72' ' ' VAL . 6.4 mm-40 -118.33 157.27 27.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -107.71 120.01 41.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG13 HG23 ' A' ' 76' ' ' ILE . 2.3 t -115.15 120.16 37.33 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.637 0.732 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 103.05 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.634 2.222 . . . . 0.0 112.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD13 ' CG2' ' A' ' 79' ' ' ILE . 20.9 tp -119.05 115.58 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.8 t0 -50.86 136.94 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 6.3 t60 -70.14 -16.46 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.3 mtt-85 -73.89 -19.07 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 24' ' ' ASP . 7.4 m -113.44 -14.12 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 8.8 m170 -36.94 -59.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -56.75 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -38.97 -34.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.487 HD12 HD21 ' A' ' 23' ' ' LEU . 84.8 mt -87.68 -50.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.75 -42.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.74 -170.64 26.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.14 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.74 13.17 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.95 35.77 17.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -94.69 -49.16 5.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -47.78 -31.67 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 50' ' ' ILE . 8.5 tp -88.11 -24.15 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -64.92 -43.44 92.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -61.78 -44.76 96.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.28 -40.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' LYS . 25.9 mtm -64.36 -56.04 17.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.54 -33.71 73.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.37 -55.99 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -105.11 7.98 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' MET . 67.1 mmtt 57.1 43.86 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.91 162.72 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -114.03 112.87 23.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' A' ' 39' ' ' ILE . 88.7 mt -94.63 109.29 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -101.51 109.3 21.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.553 ' HE2' HD23 ' A' ' 23' ' ' LEU . 36.4 m-85 -78.15 154.63 79.88 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 127.49 14.68 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -76.83 -179.64 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 p -59.6 -35.59 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.75 34.58 5.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.95 147.49 35.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.074 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.4 25.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -130.82 90.73 39.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.61 8.74 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -118.92 11.14 12.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -125.47 143.09 51.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 21' ' ' VAL . 13.6 m -121.46 145.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.5 m -101.6 106.83 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.433 HG22 HG12 ' A' ' 50' ' ' ILE . 59.0 t -99.98 123.0 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 67' ' ' GLY . 8.7 m -99.09 157.64 16.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 66' ' ' THR . . . 131.5 165.9 11.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.732 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.9 mm? -47.98 153.4 1.18 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -17.22 37.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.62 2.213 . . . . 0.0 112.358 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.33 -26.52 23.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -92.27 -41.41 10.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 68' ' ' LEU . 72.4 t -53.25 -50.82 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.54 -45.85 63.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -62.53 -37.17 85.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.13 76.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.551 HG23 HG13 ' A' ' 21' ' ' VAL . 41.0 mt -53.85 -52.2 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -49.79 -33.62 17.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.33 -33.34 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.687 ' CG2' HD13 ' A' ' 23' ' ' LEU . 64.3 mt -66.56 -58.32 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.82 -30.09 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.29 -45.19 88.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.71 -35.31 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -50.41 -41.39 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 10.3 tt0 -75.28 -41.39 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.51 -38.43 84.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -75.09 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -51.16 -40.47 58.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -23.38 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -90.78 46.5 1.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.2 t -107.45 90.24 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 144.48 84.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.64 3.34 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 95' ' ' GLY . 29.4 m -145.87 117.01 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.3 m -39.55 97.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 93' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -112.72 154.87 25.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.847 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -57.25 123.05 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -156.51 -88.99 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 7.0 t -35.82 117.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -132.16 95.05 3.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.39 111.75 2.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 mmt-85 -85.41 166.65 16.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -153.69 172.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.765 HG22 ' HE2' ' A' ' 47' ' ' LYS . 21.8 t -104.61 -19.77 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.52 -172.66 25.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.46 144.63 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.59 -70.06 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -45.54 -43.56 12.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -56.18 -41.39 75.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.5 mtt -44.95 157.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.13 140.82 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 p -99.09 137.32 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.12 160.22 39.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 123.79 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.544 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.9 t -116.11 121.4 33.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.65 2.233 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.673 HD13 HG22 ' A' ' 79' ' ' ILE . 24.9 tp -120.87 119.4 32.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.0 t70 -55.93 143.63 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -71.94 -15.84 62.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -74.4 -8.12 55.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.538 HG21 ' HG3' ' A' ' 83' ' ' GLU . 21.7 m -124.25 -7.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.476 ' CD2' HD23 ' A' ' 23' ' ' LEU . 12.2 m170 -51.8 -57.42 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.71 90.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.33 -33.91 55.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.478 HD12 HD21 ' A' ' 23' ' ' LEU . 40.8 mt -88.19 -45.51 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mt -52.27 -40.03 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.23 -170.82 33.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.44 -67.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 tpp85 -100.56 20.38 15.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.44 28.82 46.69 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' ARG . 31.0 tttp -86.79 -57.07 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.78 -38.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.054 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.745 HD11 HD12 ' A' ' 50' ' ' ILE . 5.3 tp -81.5 -32.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.6 tpp85 -55.7 -55.28 34.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -50.86 -29.53 12.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 88.1 mt -77.09 -45.99 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.2 mtm -57.25 -49.29 76.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -35.52 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.817 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -47.16 -57.76 4.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -102.38 3.64 38.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.765 ' HE2' HG22 ' A' ' 10' ' ' VAL . 4.6 mmmm 62.18 41.5 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 m -113.85 165.03 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.32 98.91 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.745 HD12 HD11 ' A' ' 39' ' ' ILE . 49.8 mt -78.44 131.02 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -119.44 111.31 17.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -81.29 155.13 72.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.43 6.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.329 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.89 174.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -38.7 74.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -100.88 26.66 23.82 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.65 151.36 82.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.06 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.77 11.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -123.46 89.84 50.89 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -1.77 9.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.302 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -117.58 11.91 13.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 t -128.04 143.55 51.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.4 m -121.22 137.0 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 m -92.55 102.29 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 52.4 t -90.48 131.72 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -109.06 159.96 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.72 173.43 13.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 68' ' ' LEU . 3.6 mm? -56.26 154.94 14.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -13.49 34.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.354 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -90.88 -29.62 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -88.73 -39.09 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.63 -52.5 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.3 pt-20 -49.07 -40.3 31.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.2 mt-10 -70.48 -37.9 74.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.47 -46.21 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.544 HG23 ' CG1' ' A' ' 21' ' ' VAL . 47.6 mt -53.14 -55.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -46.37 -37.19 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -74.21 -42.03 60.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.673 HG22 HD13 ' A' ' 23' ' ' LEU . 88.2 mt -59.81 -59.07 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD23 ' OE1' ' A' ' 83' ' ' GLU . 12.5 mt -59.49 -31.92 69.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -56.64 -46.5 80.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' GLU . 54.8 mt -70.36 -45.74 65.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.541 ' OE1' HD23 ' A' ' 80' ' ' LEU . 13.9 tt0 -35.59 -48.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 -52.55 26.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -45.76 -41.35 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -77.32 -46.31 23.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.1 mt -54.58 -30.63 54.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.68 -24.88 36.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -88.85 53.39 2.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -118.74 -45.89 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.4 147.35 16.85 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -27.32 26.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.6 p -73.66 131.56 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -56.12 147.48 20.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -171.37 138.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 m -113.17 150.97 31.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.8 118.58 2.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -78.46 102.63 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -125.24 130.91 53.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.37 169.05 16.41 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.9 mmp_? -87.18 170.51 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 8' ' ' ARG . 2.5 pp -159.13 168.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -88.68 -38.62 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.486 ' HA3' HD21 ' A' ' 68' ' ' LEU . . . 106.01 -176.73 22.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 9.6 mm-40 -89.81 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.18 -61.41 2.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -57.59 -19.1 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 6.5 mt-30 -78.24 -40.77 36.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.7 mtt -46.42 152.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.37 134.17 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -92.73 124.07 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -118.8 163.6 16.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -107.24 121.09 43.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.576 HG13 HG23 ' A' ' 76' ' ' ILE . 2.3 t -113.19 119.88 41.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.572 0.701 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 102.7 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.661 2.24 . . . . 0.0 112.335 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 31' ' ' ILE . 15.0 tp -120.55 119.2 32.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -61.15 142.27 56.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.414 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 49.9 p-80 -68.54 -11.97 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -74.68 -16.46 60.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 28' ' ' HIS . 34.8 m -119.06 -17.63 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 27' ' ' VAL . 5.9 m170 -34.9 -70.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -53.33 -50.37 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -44.2 -40.2 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 63.3 mt -81.46 -49.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 29' ' ' ALA . 57.8 mt -45.42 -50.92 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.18 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.01 150.27 23.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.462 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.7 -64.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -105.34 24.81 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.91 31.06 62.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -92.55 -34.2 14.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -60.2 -32.63 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 50' ' ' ILE . 4.1 tp -85.95 -33.43 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -53.62 -49.78 67.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.05 -45.89 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.6 mtm -60.0 -52.2 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.32 -33.54 73.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -53.8 -54.59 36.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -103.71 7.74 37.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' MET . 43.2 mmtm 54.22 37.21 26.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.7 m -109.09 172.99 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -121.93 106.14 10.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.514 HD12 HD11 ' A' ' 39' ' ' ILE . 54.4 mt -92.1 108.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -102.22 108.99 20.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.446 ' HE2' HD23 ' A' ' 23' ' ' LEU . 34.7 m-85 -74.64 157.03 86.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.6 7.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.96 173.07 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.0 m -58.37 -13.55 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.89 20.72 9.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.61 148.31 61.66 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.546 0.689 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -129.66 89.77 45.64 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.88 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.3 Cg_endo -69.7 1.27 4.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.394 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.56 9.6 8.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 t -127.8 142.51 51.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.483 HG22 ' HB ' ' A' ' 21' ' ' VAL . 4.6 m -114.27 155.4 15.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.5 m -110.2 100.27 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -91.56 128.79 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -108.38 160.03 16.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.99 168.66 12.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.941 ' O ' HG23 ' A' ' 72' ' ' VAL . 1.6 mm? -47.76 151.76 1.48 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.642 0.734 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -17.04 37.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.65 -26.55 22.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -91.8 -38.41 12.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 68' ' ' LEU . 77.9 t -56.01 -54.42 27.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -44.97 -47.44 11.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.58 -57.77 10.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.576 HG23 HG13 ' A' ' 21' ' ' VAL . 76.8 mt -44.11 -57.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -49.22 -43.72 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -69.91 -30.33 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.27 -58.33 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.34 -34.5 66.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -53.24 -48.66 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' GLU . 78.4 mt -64.27 -49.07 73.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.842 ' OE1' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -38.2 -54.62 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -56.13 -44.59 79.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 9.6 tp10 -59.37 -57.37 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -54.83 -65.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.842 HD12 ' OE1' ' A' ' 83' ' ' GLU . 12.5 mt -41.59 -49.52 4.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . -35.77 -39.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.14 70.31 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.3 p -107.02 -47.17 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -45.15 -94.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 159.08 54.66 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.2 p -63.68 151.6 41.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 p -94.34 162.4 13.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.508 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -134.71 147.42 50.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -112.87 43.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.24 132.33 10.98 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -168.44 158.28 9.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -44.9 147.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.98 92.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.49 ' O ' HG23 ' A' ' 9' ' ' ILE . 10.4 mmm-85 -91.18 162.71 14.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.5 pp -157.11 172.76 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.4 t -93.84 -50.69 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.76 178.1 24.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.62 140.72 33.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 mt -42.53 -51.88 4.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -56.08 -43.27 77.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.97 -42.87 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.4 mtt -52.01 157.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.1 m -134.32 139.2 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 p -97.55 117.57 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -116.15 162.83 16.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.61 129.58 55.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.8 t -122.94 119.21 27.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.52 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.572 HD21 HD12 ' A' ' 31' ' ' ILE . 26.2 tp -117.4 117.22 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 30.0 t0 -47.9 142.72 4.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.522 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 10.6 t-160 -75.39 -14.11 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -76.87 -18.5 58.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.4 m -113.4 6.26 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.9 m170 -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.46 99.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.57 ' HD3' ' CD1' ' A' ' 86' ' ' TYR . 71.0 mtt180 -53.87 -35.8 61.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.572 HD12 HD21 ' A' ' 23' ' ' LEU . 91.4 mt -85.22 -50.43 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.0 mt -42.79 -51.52 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.26 153.4 25.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.8 -62.04 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -105.14 23.11 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.34 23.39 78.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -80.73 -48.02 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -41.88 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.864 HD11 HD13 ' A' ' 50' ' ' ILE . 10.2 tp -80.56 -16.53 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -74.15 -43.33 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -64.52 -33.41 75.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 94.9 mt -69.82 -53.16 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.0 mtm -52.77 -45.06 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.23 88.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.54 -60.77 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.32 4.27 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm 54.96 48.68 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.2 m -117.95 171.26 6.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.64 104.65 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.864 HD13 HD11 ' A' ' 39' ' ' ILE . 12.3 mt -85.67 144.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -132.45 116.76 17.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' N ' ' HD3' ' A' ' 51' ' ' ARG . 85.1 m-85 -88.88 151.12 46.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.607 0.718 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 123.6 10.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -72.76 178.55 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.7 m -64.11 -16.52 61.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.78 8.09 31.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.89 147.9 78.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.581 0.705 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.53 6.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.695 2.264 . . . . 0.0 112.302 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.21 89.9 10.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -2.99 11.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -121.74 12.61 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.5 t -123.76 139.1 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.2 m -120.08 150.39 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.7 m -107.46 110.47 22.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.3 t -99.35 122.29 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.1 166.42 12.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.9 mm? -44.72 151.59 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -21.51 33.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.76 -30.56 22.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.44 -38.73 19.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 68' ' ' LEU . 60.0 t -60.28 -54.5 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -42.88 -42.41 3.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -66.02 -50.28 64.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.16 -58.09 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.497 HG23 ' CG1' ' A' ' 21' ' ' VAL . 61.4 mt -41.09 -52.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.68 -41.48 43.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.39 -36.51 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.81 -63.87 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.85 -36.69 49.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.98 -46.21 64.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.95 -38.77 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -42.96 -60.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.23 -49.9 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -48.24 -56.35 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.57 ' CD1' ' HD3' ' A' ' 30' ' ' ARG . 39.1 m-85 -61.4 -47.59 85.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 68.2 mt -52.55 -33.89 47.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.85 -27.09 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.06 61.32 2.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -60.92 -44.09 97.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 159.83 -92.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -25.74 28.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.6 p -66.57 -50.57 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.0 m -88.38 124.59 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.538 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -152.39 158.52 42.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -157.46 116.16 3.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.98 87.77 0.47 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -47.35 -51.26 20.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -90.46 104.5 17.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 141.27 5.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 9' ' ' ILE . 12.9 mmt85 -83.39 166.55 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 8' ' ' ARG . 8.8 pt -159.35 175.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.2 t -100.85 -35.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.11 -167.86 44.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.7 156.39 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.29 -58.29 9.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.43 -37.74 62.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -56.99 -41.15 77.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 58.5 mtt -50.83 154.12 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 m -131.77 141.59 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.9 p -96.97 121.3 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.12 159.59 24.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -108.75 111.47 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.488 HG11 HG23 ' A' ' 76' ' ' ILE . 2.6 t -107.46 119.1 51.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.83 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.596 2.198 . . . . 0.0 112.341 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.644 HD13 HG22 ' A' ' 79' ' ' ILE . 26.5 tp -115.51 123.04 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 41.2 t0 -56.19 141.59 40.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 7.1 p80 -72.47 -12.26 61.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -79.45 -27.96 41.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.562 HG11 ' HG2' ' A' ' 83' ' ' GLU . 16.6 m -102.19 2.04 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.43 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.99 88.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -31.76 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.3 mt -91.97 -48.98 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -48.2 -50.18 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.15 131.42 5.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -36.54 -57.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -75.29 -29.72 60.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.45 8.85 52.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 40' ' ' ARG . 25.9 tttp -81.97 -38.0 25.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.332 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.24 -54.06 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.744 HD11 HD12 ' A' ' 50' ' ' ILE . 9.0 tp -62.56 -28.94 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' LYS . 9.0 tpt85 -63.91 -34.26 77.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -60.06 -47.08 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.71 -47.05 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -53.32 -32.25 48.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -82.97 -39.47 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -52.8 -52.75 55.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -103.08 11.39 37.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm 46.39 47.61 13.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.9 m -116.12 167.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -121.36 105.62 10.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.744 HD12 HD11 ' A' ' 39' ' ' ILE . 30.2 mt -91.66 116.13 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -103.47 111.01 23.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -80.66 151.83 71.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.57 9.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.478 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 11.4 pt20 -62.15 168.62 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -47.98 -56.54 7.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.84 24.69 7.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' HB2' ' N ' ' A' ' 54' ' ' GLN . . . -69.69 151.04 96.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.073 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.74 24.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.89 89.89 23.62 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -1.16 8.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -118.75 12.81 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -128.28 136.99 51.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.9 m -119.66 147.46 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -102.19 105.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -95.19 118.74 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.179 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 m -102.57 149.73 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 166.59 11.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.9 mm? -40.39 148.14 0.35 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -13.93 35.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -91.81 -27.43 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -89.6 -36.52 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.1 t -58.91 -54.87 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -47.32 -43.87 23.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -65.56 -52.73 50.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.13 -46.5 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.488 HG23 HG11 ' A' ' 21' ' ' VAL . 75.9 mt -52.08 -55.85 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -42.65 -41.65 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' NE2' HD11 ' A' ' 82' ' ' LEU . 5.4 t60 -68.49 -44.51 74.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.644 HG22 HD13 ' A' ' 23' ' ' LEU . 70.1 mt -57.74 -60.56 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.62 -38.47 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -52.41 -47.27 66.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 86' ' ' TYR . 35.6 mt -70.14 -49.03 54.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' HG2' HG11 ' A' ' 27' ' ' VAL . 1.2 tm-20 -40.58 -39.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -72.05 -45.95 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -57.57 -52.65 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 82' ' ' LEU . 32.7 m-85 -58.64 -54.93 41.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.5 mt -50.05 -50.05 49.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.29 -35.14 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -109.27 45.65 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.1 p -91.05 -45.98 8.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.13 79.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 91.98 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 m -96.82 106.96 19.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.7 p -141.03 147.39 38.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m -143.6 153.59 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -152.38 123.24 7.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 55.48 0.41 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 m -117.15 177.74 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -122.98 -50.85 1.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.79 84.43 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -48.37 142.3 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 pt -145.65 -178.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.5 t -84.57 -44.37 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.67 -169.66 47.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -96.34 146.62 24.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.42 -54.98 24.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -57.84 -39.46 77.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -58.31 -41.15 83.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 47.7 mtt -51.12 153.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -133.13 142.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -99.54 120.71 40.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.54 156.03 26.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -105.93 116.74 32.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 63' ' ' VAL . 2.2 t -110.62 119.34 46.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 101.27 0.88 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.65 HD13 HG22 ' A' ' 79' ' ' ILE . 13.9 tp -120.31 132.47 55.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.555 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 27.2 t0 -69.83 150.11 47.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 8.9 t-160 -74.55 -13.29 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -72.58 -38.55 67.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.561 HG21 ' HG3' ' A' ' 83' ' ' GLU . 19.2 m -94.35 -6.06 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 7.0 m170 -50.04 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -45.47 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -48.48 -31.92 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 53.1 mt -90.68 -51.33 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -44.42 -51.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 92.28 129.13 4.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -35.45 -61.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 111.082 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -74.97 -26.33 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.66 15.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -89.32 -38.39 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -51.91 -33.36 36.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.427 HD11 ' HB ' ' A' ' 50' ' ' ILE . 5.0 tp -82.25 -30.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -63.19 -56.37 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -43.81 42.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.14 -50.76 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' LYS . 28.1 mtm -53.59 -56.37 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -58.26 -46.9 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -39.38 -46.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 75' ' ' ALA . 26.6 m-85 -109.64 -0.49 18.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' MET . 35.2 mmtm 61.1 44.29 10.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.78 175.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -123.7 99.42 6.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.427 ' HB ' HD11 ' A' ' 39' ' ' ILE . 79.3 mt -83.31 133.3 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -124.81 121.7 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -92.37 153.22 42.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 115.01 3.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.48 -177.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -57.65 -39.42 76.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.75 46.61 1.61 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.99 145.66 31.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -34.84 13.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.84 91.13 50.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -1.57 8.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -118.99 13.86 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.7 t -126.84 146.03 50.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 21' ' ' VAL . 35.8 m -125.59 148.24 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -108.34 113.51 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.21 128.16 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 m -106.38 155.11 19.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.05 164.11 11.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.5 mm? -42.5 150.53 0.41 Allowed Pre-proline 0 C--N 1.328 -0.37 0 CA-C-O 121.549 0.69 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -12.09 32.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.217 . . . . 0.0 112.331 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -90.92 -29.64 17.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -86.81 -40.13 15.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 68' ' ' LEU . 72.0 t -59.85 -55.01 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.8 pt-20 -43.91 -47.15 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 39.3 mm-40 -65.83 -40.27 91.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 46' ' ' PHE . . . -60.61 -45.31 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.494 HG23 ' CG1' ' A' ' 21' ' ' VAL . 90.0 mt -53.2 -58.48 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -44.58 -39.3 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.43 ' NE2' HD11 ' A' ' 82' ' ' LEU . 6.3 t60 -69.57 -41.66 75.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.65 HG22 HD13 ' A' ' 23' ' ' LEU . 82.6 mt -61.07 -55.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.514 HD23 ' OE1' ' A' ' 83' ' ' GLU . 18.0 mt -61.3 -35.57 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 3.1 t30 -53.41 -46.33 69.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD11 ' NE2' ' A' ' 78' ' ' HIS . 35.3 mt -74.45 -33.87 63.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.561 ' HG3' HG21 ' A' ' 27' ' ' VAL . 9.2 tt0 -49.94 -45.62 51.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -71.31 -41.0 70.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -57.26 -41.95 80.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -78.08 -46.65 20.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 55.2 mt -57.67 -36.03 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.66 -36.35 4.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.12 57.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.5 t -87.41 77.5 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.39 -157.64 24.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.75 3.24 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.377 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 t -46.78 108.92 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.4 p -154.52 166.57 32.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -39.68 127.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -138.72 155.41 48.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.22 -94.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -101.8 168.35 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.343 . . . . 0.0 110.925 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.0 p -61.92 -46.79 87.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.86 -129.59 2.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 9' ' ' ILE . 4.4 mmp_? -67.87 -177.76 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.568 HG23 ' O ' ' A' ' 8' ' ' ARG . 1.4 pt -163.52 -176.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.28 -40.83 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.3 -178.16 38.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -100.64 146.28 27.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.403 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.69 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -46.22 -39.8 10.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -59.66 -44.4 93.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.4 mtt -41.3 146.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.35 139.59 50.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.5 p -95.11 116.1 28.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -114.48 158.32 21.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -107.71 132.48 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.684 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.9 t -122.92 123.67 26.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 31' ' ' ILE . 14.6 tp -120.64 125.93 48.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.613 ' O ' HG22 ' A' ' 27' ' ' VAL . 17.4 t0 -69.85 138.41 52.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 7.4 t-160 -63.04 -21.68 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.9 mmt-85 -67.74 -16.94 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.797 HG21 ' HG3' ' A' ' 83' ' ' GLU . 26.5 m -115.6 -16.8 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 10.9 m170 -41.07 -67.92 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.21 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . 2.2 mpt_? -48.51 -31.04 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.652 HD12 HD21 ' A' ' 23' ' ' LEU . 76.8 mt -92.17 -52.02 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mt -43.07 -52.4 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' GLY . . . 95.03 125.14 4.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . -33.96 -56.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 35' ' ' ARG . 1.3 mpp_? -80.34 -25.57 39.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . 95.22 22.56 22.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -90.64 -32.28 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.5 68.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.5 tp -83.55 -23.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -68.15 -48.7 64.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 37.1 pttt -58.8 -44.72 90.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 88.4 mt -57.89 -41.13 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtm -65.65 -55.26 18.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -59.78 -37.28 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -48.75 -55.16 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -100.93 4.52 42.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm 59.46 43.11 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.43 166.27 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.0 102.03 8.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.6 mt -84.41 127.25 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -113.2 116.33 29.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -87.33 150.79 49.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.741 2.294 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -67.46 -176.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -53.58 -52.87 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.95 40.57 3.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.9 144.04 27.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.42 23.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -131.98 93.28 27.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -1.02 7.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.89 12.06 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.46 142.51 51.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 21' ' ' VAL . 33.6 m -119.72 154.46 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.1 m -113.09 102.95 10.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.4 t -90.27 122.79 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -97.85 150.64 21.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.19 170.6 12.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.568 ' O ' HG23 ' A' ' 72' ' ' VAL . 2.9 mm? -53.88 155.15 6.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.14 36.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.9 -30.12 18.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -87.8 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 68' ' ' LEU . 71.8 t -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' VAL . 18.0 pt-20 -37.33 -44.82 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.93 -50.79 63.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.43 -49.49 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.684 HG23 ' CG1' ' A' ' 21' ' ' VAL . 76.1 mt -51.41 -50.59 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -50.13 -40.89 47.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -71.74 -34.56 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 23' ' ' LEU . 92.1 mt -66.6 -57.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.28 -34.72 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -54.25 -45.23 72.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.0 mt -76.07 -30.3 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.797 ' HG3' HG21 ' A' ' 27' ' ' VAL . 16.6 tt0 -51.63 -53.34 39.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -66.99 -45.1 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -51.35 -38.72 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' A' ' 30' ' ' ARG . 20.5 m-85 -77.64 -47.72 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.03 -42.32 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.35 -37.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -126.31 41.13 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -157.2 112.33 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.17 159.74 9.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 139.12 39.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t -153.84 161.72 41.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.0 m -41.9 134.28 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.523 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -68.13 98.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -71.65 178.12 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.72 -169.91 33.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -138.6 151.33 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -71.94 164.02 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.49 135.89 3.9 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.436 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 9' ' ' ILE . 9.8 mmt180 -92.87 165.46 12.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 8' ' ' ARG . 2.2 pp -158.37 172.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.689 HG22 ' HG2' ' A' ' 47' ' ' LYS . 86.5 t -88.48 -38.76 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.94 -159.09 17.51 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 13.2 mt-10 -103.23 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.49 -60.06 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -59.24 -23.2 62.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 26.5 mt-30 -74.61 -30.47 61.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.0 mtt -51.83 155.64 1.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.38 134.74 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.4 p -88.91 125.98 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -126.12 160.61 29.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.85 127.12 55.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.664 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -118.2 122.66 30.09 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 100.87 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.813 HD23 ' CD2' ' A' ' 28' ' ' HIS . 11.0 tp -117.15 124.28 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.76 ' O ' HG22 ' A' ' 27' ' ' VAL . 20.8 t0 -62.29 129.23 39.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 28' ' ' HIS . 32.6 p-80 -58.8 -13.49 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -78.4 -10.14 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 24' ' ' ASP . 26.7 m -117.6 -13.74 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.813 ' CD2' HD23 ' A' ' 23' ' ' LEU . 15.8 m170 -47.55 -67.89 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.44 -53.63 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -31.56 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.472 HG22 HD13 ' A' ' 39' ' ' ILE . 59.1 mt -86.98 -37.55 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.5 -41.52 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.1 -144.33 17.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.07 -65.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.475 ' HB3' ' CD ' ' A' ' 37' ' ' LYS . 43.1 ttt-85 -105.32 16.05 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.63 36.25 17.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CD ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -92.5 -51.68 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.855 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.78 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.833 HD11 HD13 ' A' ' 50' ' ' ILE . 5.8 tp -85.69 -29.25 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -62.12 -55.88 24.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -45.82 -36.97 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.27 -35.45 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.4 mtm -67.2 -54.05 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.21 -25.66 67.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 46.2 tt0 -54.46 -49.69 69.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -114.07 6.76 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.689 ' HG2' HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER 61.83 43.35 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -114.99 157.77 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -111.43 112.21 23.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.833 HD13 HD11 ' A' ' 39' ' ' ILE . 13.1 mt -94.88 130.24 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -124.46 112.26 16.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -79.48 153.56 76.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.669 0.747 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 122.19 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -70.92 174.35 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.5 p -61.16 -15.76 37.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.45 1.47 30.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.14 147.89 98.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.594 0.712 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.9 3.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -111.05 90.34 11.12 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.584 0.707 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.73 3.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.282 . . . . 0.0 112.32 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.25 12.16 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.97 145.51 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 m -124.45 142.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.5 m -95.64 108.32 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 68.2 t -101.39 123.96 54.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -101.7 161.95 13.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.8 163.86 11.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.439 ' CD2' ' H ' ' A' ' 68' ' ' LEU . 3.6 mm? -46.08 155.0 0.55 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.614 0.721 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -15.86 37.14 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.91 -29.16 16.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.06 -38.53 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.17 -48.27 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -52.95 -44.04 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.0 -31.77 71.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.93 -46.82 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.664 HG23 ' CG1' ' A' ' 21' ' ' VAL . 31.4 mt -54.44 -56.32 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -45.46 -39.16 6.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -72.83 -38.48 67.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.503 ' CG2' HD13 ' A' ' 23' ' ' LEU . 96.9 mt -61.19 -58.59 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.38 -32.28 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -56.06 -45.12 79.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 76.0 mt -76.01 -27.04 57.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.558 ' HG2' HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -61.19 -45.03 96.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.19 -46.54 73.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.33 -38.55 80.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 13.6 m-85 -69.53 -59.28 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.25 -44.53 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.71 -37.29 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -102.42 67.06 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 p -121.37 113.08 19.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.3 -158.98 16.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.17 17.16 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.363 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 t -110.73 -48.41 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -80.15 95.85 6.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -51.46 138.39 22.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.374 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -134.72 122.28 21.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.7 103.79 0.61 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -118.92 80.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.7 p -57.38 164.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.8 150.16 19.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -65.39 166.19 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -152.93 -176.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.2 t -125.91 -47.96 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.73 -178.45 36.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -95.71 150.52 20.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mp -54.06 -50.5 66.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -63.98 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -57.92 -42.13 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.4 mtt -49.04 159.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.44 131.6 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -85.78 124.54 32.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.32 159.13 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -109.18 136.41 48.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -127.15 119.25 22.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 102.05 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.787 HD13 HG22 ' A' ' 79' ' ' ILE . 19.2 tp -119.79 124.56 46.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.518 ' O ' HG22 ' A' ' 27' ' ' VAL . 14.1 t0 -57.24 125.42 22.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 56.7 p-80 -61.12 -16.25 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.77 -18.09 64.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 24' ' ' ASP . 20.0 m -117.79 -9.37 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 4.6 m170 -45.01 -67.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -52.47 -52.97 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 17.8 mmm180 -41.89 -44.89 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 53.6 mt -74.55 -53.07 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 29' ' ' ALA . 60.1 mt -41.88 -52.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.25 131.4 5.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.05 -60.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -73.34 -23.57 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.47 24.05 32.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -92.96 -30.17 15.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.78 0.324 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -57.51 -34.1 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.622 HD11 HD12 ' A' ' 50' ' ' ILE . 5.9 tp -86.24 -23.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -67.83 -49.33 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -53.13 -42.23 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.55 -48.88 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.0 mtm -55.4 -48.23 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -66.99 -35.05 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.63 -58.68 6.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -97.1 8.6 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm 53.58 42.59 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.2 m -113.72 175.74 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -126.15 97.57 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.622 HD12 HD11 ' A' ' 39' ' ' ILE . 80.0 mt -82.53 131.44 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -123.84 121.67 36.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CE2' HG12 ' A' ' 32' ' ' ILE . 42.8 m-85 -88.41 154.73 51.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 116.72 4.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.622 2.215 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -74.43 179.21 4.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -60.29 -17.1 40.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.9 18.18 29.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.68 143.58 33.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.721 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -37.48 8.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -115.05 92.35 30.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.546 0.688 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 13.98 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.07 145.51 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.7 m -120.52 156.56 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -115.54 108.57 16.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.9 t -94.77 139.05 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -115.56 146.94 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.89 175.08 13.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.0 mm? -55.33 153.88 12.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -12.94 33.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.5 -31.47 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -89.46 -43.11 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 68' ' ' LEU . 79.7 t -54.69 -49.85 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -52.21 -41.51 62.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.82 -49.32 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.07 -53.85 37.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.53 HG23 ' CG1' ' A' ' 21' ' ' VAL . 96.4 mt -43.11 -55.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -48.83 -35.65 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -73.01 -38.61 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.787 HG22 HD13 ' A' ' 23' ' ' LEU . 33.9 mt -64.45 -60.88 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD23 ' OE1' ' A' ' 83' ' ' GLU . 11.7 mt -54.79 -35.82 64.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -54.22 -46.0 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.6 mt -70.91 -40.27 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.526 ' OE1' HD23 ' A' ' 80' ' ' LEU . 8.4 tt0 -40.12 -54.59 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -59.74 -42.42 93.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.602 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 5.2 tp10 -59.73 -57.65 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 32.6 m-85 -53.22 -62.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.45 ' HG ' ' CG1' ' A' ' 27' ' ' VAL . 13.2 mt -47.58 -36.36 10.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 85' ' ' GLU . . . -46.25 -40.17 11.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.75 58.79 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.1 p -83.38 -47.84 11.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.3 82.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 1.85 4.09 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.4 p -67.27 86.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -63.52 158.45 20.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -147.34 149.5 32.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -132.13 156.41 46.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 160.09 33.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -102.23 -57.12 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.845 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 48.18 41.06 15.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.98 57.29 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 9' ' ' ILE . 27.5 mmt-85 -91.72 159.59 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.892 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 8' ' ' ARG . 8.5 pt -160.85 173.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.4 t -87.71 -46.62 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.11 -163.09 15.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 3.3 mm-40 -105.38 143.8 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.9 -64.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.84 -19.56 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.478 ' CG ' ' HB2' ' A' ' 12' ' ' GLU . 19.8 mt-30 -80.78 -24.2 38.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.54 154.92 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.5 m -138.28 136.05 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 m -91.83 140.13 29.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.98 154.84 47.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.28 118.53 36.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.529 ' CG1' HG23 ' A' ' 76' ' ' ILE . 1.7 t -114.96 120.51 37.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.25 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.977 HD21 HD12 ' A' ' 31' ' ' ILE . 16.7 tp -120.83 109.23 14.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 27' ' ' VAL . 20.6 t0 -47.54 153.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -77.51 -26.65 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -68.52 -4.69 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG21 ' HG3' ' A' ' 83' ' ' GLU . 21.1 m -124.51 -6.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 24' ' ' ASP . 10.7 m170 -52.48 -68.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.22 -41.88 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' A' ' 86' ' ' TYR . 15.8 mmt180 -52.41 -32.67 40.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.977 HD12 HD21 ' A' ' 23' ' ' LEU . 84.6 mt -90.16 -51.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 52' ' ' PHE . 73.5 mt -44.97 -46.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.64 167.49 26.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 -53.24 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 7.87 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.53 32.16 8.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' ARG . 41.6 tttt -94.3 -53.44 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -39.39 -33.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.066 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.005 HD11 HD12 ' A' ' 50' ' ' ILE . 3.2 tp -89.81 -30.17 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' LYS . 6.8 tpt85 -56.31 -37.06 69.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 17.3 ptpt -71.46 -38.33 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.447 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -66.3 -44.77 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' LYS . 13.2 mtm -57.2 -56.45 21.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.13 -32.5 73.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HG2' ' CE1' ' A' ' 46' ' ' PHE . 36.0 tt0 -46.35 -52.77 12.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 7.6 m-85 -116.11 7.34 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' MET . 0.2 OUTLIER 62.61 40.93 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.899 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.45 154.49 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.41 100.92 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.005 HD12 HD11 ' A' ' 39' ' ' ILE . 35.7 mt -80.2 117.91 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.62 110.86 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 32' ' ' ILE . 75.2 m-85 -80.0 152.97 74.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.646 0.736 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 124.71 11.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.634 2.223 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -64.64 -178.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -66.75 -22.39 66.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.87 21.79 11.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.01 153.2 92.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.581 0.705 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.81 29.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.24 . . . . 0.0 112.332 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.24 89.74 27.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.59 0.71 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.61 4.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -123.29 8.55 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.4 t -124.09 144.44 49.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -121.43 148.19 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.7 m -104.06 100.51 10.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.5 t -90.07 118.6 35.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.0 m -94.02 156.92 16.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.23 167.24 12.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.4 mm? -50.55 154.84 2.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -16.65 37.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.334 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -88.24 -26.13 22.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -91.38 -45.23 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 68' ' ' LEU . 77.8 t -52.71 -56.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.517 ' HA ' HD12 ' A' ' 76' ' ' ILE . 14.0 pt-20 -43.42 -48.7 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.9 81.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.529 HG23 ' CG1' ' A' ' 21' ' ' VAL . 49.6 mt -51.73 -57.68 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -45.83 -38.11 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -72.32 -40.78 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.648 HG22 HD13 ' A' ' 23' ' ' LEU . 81.9 mt -61.72 -58.17 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 mt -58.15 -31.88 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 81' ' ' ASN . 1.7 t30 -57.62 -46.95 83.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.49 -28.95 59.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.579 ' HG3' HG21 ' A' ' 27' ' ' VAL . 7.1 tt0 -55.1 -43.96 74.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.43 -47.15 71.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.43 -50.99 61.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 30' ' ' ARG . 34.8 m-85 -60.75 -53.37 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -52.03 -42.35 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.07 -25.59 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -95.74 58.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -95.05 -48.03 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.68 -95.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 117.45 5.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.743 2.295 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.7 t -126.44 94.89 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -150.41 130.36 13.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -133.29 -56.92 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.8 p 42.96 44.29 3.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.17 121.9 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -86.35 175.82 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -158.45 128.33 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.24 114.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.688 ' O ' HG23 ' A' ' 9' ' ' ILE . 13.4 mmt180 -83.71 -177.59 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.823 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 8' ' ' ARG . 1.9 pt -166.51 177.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.0 t -112.7 -36.49 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.23 -175.92 54.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -99.58 153.67 18.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.03 -47.94 84.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.64 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.02 -16.14 61.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.7 mtt -68.82 156.11 38.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.61 152.02 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 p -103.28 122.17 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -120.49 164.3 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.59 125.74 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.635 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.2 t -118.57 124.28 28.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 100.32 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD13 ' CG2' ' A' ' 79' ' ' ILE . 21.1 tp -120.8 123.44 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.514 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 29.8 t0 -55.18 137.18 47.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.518 ' HA ' ' CG ' ' A' ' 28' ' ' HIS . 14.9 p80 -75.82 -17.29 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -71.45 -18.69 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -119.55 12.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.547 ' CD2' HD23 ' A' ' 23' ' ' LEU . 10.3 m170 -66.78 -61.03 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 32' ' ' ILE . . . -61.49 -27.79 68.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -69.16 -46.08 68.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 59.6 mt -75.93 -37.98 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 29' ' ' ALA . 44.9 mt -49.86 -53.15 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.1 153.35 24.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.48 -66.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -103.16 24.88 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.64 38.66 61.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.8 mmmt -90.87 -55.21 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 31' ' ' ILE . . . -45.54 -32.65 2.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.412 HD11 ' CD1' ' A' ' 50' ' ' ILE . 10.5 tp -89.02 -21.66 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LYS . 13.1 tpp85 -66.03 -45.85 79.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -59.79 -38.11 80.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.92 -43.06 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' LYS . 22.2 mtm -64.29 -54.16 37.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.88 -28.47 69.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -56.12 -52.78 63.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -105.8 3.91 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 43' ' ' MET . 28.6 mmtt 61.17 53.03 3.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.38 162.72 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -114.82 101.18 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.412 ' CD1' HD11 ' A' ' 39' ' ' ILE . 27.1 mt -83.32 144.62 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -131.33 120.63 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -88.92 158.1 47.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.09 4.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' SER . 51.8 mm-40 -70.91 164.4 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' GLN . 7.4 t -38.01 -58.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.49 44.63 3.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.65 144.35 27.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.592 0.71 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -43.68 2.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -115.6 91.0 27.96 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.558 0.694 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.69 10.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.66 14.21 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.18 139.98 52.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 63' ' ' VAL . 19.9 m -120.38 126.02 74.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -84.65 107.18 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -95.99 135.07 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.0 m -110.85 153.78 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.97 167.7 12.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.854 ' O ' HG23 ' A' ' 72' ' ' VAL . 4.0 mm? -44.77 150.85 0.66 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -20.21 34.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.353 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -85.94 -27.51 24.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -87.67 -46.76 9.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 68' ' ' LEU . 93.2 t -47.49 -54.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -46.22 -47.41 17.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -60.05 -42.31 94.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.53 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.635 HG23 ' CG1' ' A' ' 21' ' ' VAL . 76.9 mt -46.99 -56.84 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -46.99 -36.45 7.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -74.22 -32.56 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.555 ' CG2' HD13 ' A' ' 23' ' ' LEU . 71.8 mt -70.11 -59.64 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.58 -29.95 62.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.16 -52.57 65.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLU . 88.8 mt -61.85 -48.15 81.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.64 ' OE1' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -35.03 -52.31 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -64.17 -43.9 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' LEU . 9.4 mt-10 -59.49 -36.63 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -75.84 -54.18 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.64 HD12 ' OE1' ' A' ' 83' ' ' GLU . 49.0 mt -57.18 -34.28 68.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.35 -27.53 24.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -132.3 47.75 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.6 m -119.73 82.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -167.4 -73.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 85.55 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.7 p -156.5 143.9 19.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -98.85 135.93 39.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p 38.91 42.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.827 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -93.37 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.95 179.36 49.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -81.35 112.04 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -131.53 115.88 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.7 -178.05 16.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -74.37 166.64 23.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.332 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -152.06 -178.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.8 t -106.75 -24.07 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.87 -175.48 51.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -100.79 155.76 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.18 -63.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -45.96 -39.02 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.45 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.2 mtt -52.21 151.14 4.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.24 137.54 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 p -90.11 118.18 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -116.69 156.8 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.67 119.74 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 76' ' ' ILE . 2.1 t -112.18 119.02 44.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.616 0.722 . . . . 0.0 111.18 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 101.82 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.744 HD23 ' CD2' ' A' ' 28' ' ' HIS . 11.2 tp -119.28 128.62 54.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.718 ' O ' HG22 ' A' ' 27' ' ' VAL . 32.1 t0 -66.73 137.03 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -63.18 -11.83 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmt-85 -78.03 -5.87 52.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 24' ' ' ASP . 32.6 m -123.47 -24.56 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.744 ' CD2' HD23 ' A' ' 23' ' ' LEU . 12.4 m170 -34.43 -65.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.22 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB3' ' CG ' ' A' ' 86' ' ' TYR . 32.7 mmt180 -47.92 -28.57 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.647 HD12 HD21 ' A' ' 23' ' ' LEU . 74.5 mt -93.68 -49.51 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.5 -48.9 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.31 -149.96 19.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.6 -64.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -108.44 21.26 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.47 22.32 67.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -84.64 -30.79 24.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.63 -38.72 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.785 HD11 HD13 ' A' ' 50' ' ' ILE . 3.4 tp -75.89 -36.37 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.68 -28.92 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -61.41 -54.58 41.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mt -61.07 -41.52 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.2 mtm -57.15 -42.19 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.27 -29.46 42.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.42 -52.09 55.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -114.15 6.57 16.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.45 44.75 9.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -113.4 163.63 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -117.46 109.7 17.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.785 HD13 HD11 ' A' ' 39' ' ' ILE . 15.3 mt -89.91 117.79 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 112.2 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -82.58 150.2 62.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 127.69 14.93 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -83.04 163.56 20.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -46.34 -26.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.56 32.61 7.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.97 149.34 35.65 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -31.75 20.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.741 2.294 . . . . 0.0 112.371 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.45 90.29 51.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -4.8 14.79 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -118.87 14.22 13.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -127.41 140.22 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 m -118.29 141.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.6 m -100.66 106.33 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -95.19 137.23 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -114.31 145.86 41.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . 140.64 161.61 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.543 HD22 ' H ' ' A' ' 68' ' ' LEU . 3.8 mm? -37.67 152.57 0.13 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.702 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.41 31.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -88.24 -26.37 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.51 -34.52 18.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.4 t -66.03 -49.74 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -50.28 -39.37 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -71.74 -38.87 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.4 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.53 HG23 ' CG1' ' A' ' 21' ' ' VAL . 85.2 mt -50.02 -55.35 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -48.75 -38.77 22.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.415 ' NE2' HD11 ' A' ' 82' ' ' LEU . 4.8 t60 -69.76 -35.54 75.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.492 HG22 HD13 ' A' ' 23' ' ' LEU . 79.5 mt -65.57 -52.46 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.67 -30.71 70.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -59.65 -45.54 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.415 HD11 ' NE2' ' A' ' 78' ' ' HIS . 44.3 mt -78.42 -30.14 47.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' HG3' HG21 ' A' ' 27' ' ' VAL . 12.9 tt0 -51.41 -44.4 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -73.85 -49.54 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.9 -39.39 54.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.448 ' CG ' ' HB3' ' A' ' 30' ' ' ARG . 17.5 m-85 -74.23 -48.37 29.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.09 -37.78 35.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.44 -28.21 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -82.34 45.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.7 t -124.3 44.43 2.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.15 -159.64 33.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.03 16.9 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 t -100.47 -55.16 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.797 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.1 p -155.17 130.71 9.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.547 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -170.85 131.21 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 t -71.48 152.1 43.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.04 -161.73 30.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m 54.33 43.37 30.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 p -153.53 167.27 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.23 146.13 9.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.52 ' O ' HG23 ' A' ' 9' ' ' ILE . 14.3 mmt180 -98.51 162.19 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.627 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.5 pp -158.16 162.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.5 t -101.26 -45.05 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.63 171.15 47.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.92 156.15 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.74 -57.18 13.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.22 -40.62 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.21 -36.56 75.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.1 mtt -52.53 152.36 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -130.37 141.91 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.6 p -96.57 118.58 33.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -115.32 141.78 47.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.28 110.49 22.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.702 HG13 HG23 ' A' ' 76' ' ' ILE . 2.9 t -100.86 119.66 57.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 98.98 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.743 HD13 HG22 ' A' ' 79' ' ' ILE . 20.4 tp -121.04 124.41 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 25' ' ' HIS . 39.7 t0 -62.32 143.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.557 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 12.4 t60 -73.04 -10.96 60.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -77.29 -13.45 59.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 ' HG3' ' A' ' 83' ' ' GLU . 27.7 m -119.53 -9.35 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 25' ' ' HIS . 20.3 m170 -50.75 -71.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -40.39 58.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -54.26 -44.36 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.403 ' CD1' HD21 ' A' ' 23' ' ' LEU . 30.1 mt -75.86 -37.6 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.617 HD11 ' CD2' ' A' ' 52' ' ' PHE . 84.6 mt -69.02 -28.13 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.97 -115.27 2.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.54 -174.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -51.9 -16.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 158.22 33.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' ARG . 39.6 ttmt -94.83 -58.63 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.58 -32.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.5 tp -88.92 -26.15 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' LYS . 3.0 tpm_? -63.97 -50.21 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' ILE . 28.3 pttt -53.03 -39.3 63.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 94.1 mt -65.63 -40.51 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 24.2 mtm -60.87 -58.12 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.81 -35.62 73.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -49.61 -55.57 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.35 10.11 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 54.99 38.11 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.51 -178.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -132.45 102.05 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 mt -93.8 110.65 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -107.14 110.34 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CD2' HD11 ' A' ' 32' ' ' ILE . 51.6 m-85 -74.7 149.56 85.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.666 0.746 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.86 9.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.281 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.93 -178.16 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.2 p -53.44 -47.78 69.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.03 44.01 2.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 146.29 32.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.569 0.7 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -31.52 20.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.748 2.299 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.3 m-20 -129.18 92.78 38.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.3 Cg_endo -69.73 -2.83 10.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -121.36 12.73 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.2 t -128.42 139.73 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 21' ' ' VAL . 35.3 m -114.61 155.82 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -109.9 108.94 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.37 121.15 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -99.53 158.25 15.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.22 170.87 12.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 72' ' ' VAL . 3.7 mm? -55.03 155.01 9.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -17.15 37.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.62 -27.26 23.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.71 -38.07 12.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 68' ' ' LEU . 98.0 t -61.31 -55.77 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 26.0 pt-20 -39.6 -46.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 21.2 mt-10 -66.75 -46.68 74.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.29 73.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.702 HG23 HG13 ' A' ' 21' ' ' VAL . 12.8 mt -51.43 -49.83 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -53.72 -47.57 70.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.454 ' NE2' HD11 ' A' ' 82' ' ' LEU . 24.9 t60 -59.87 -38.23 81.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.743 HG22 HD13 ' A' ' 23' ' ' LEU . 75.3 mt -62.03 -58.48 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.8 -32.64 69.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -57.13 -50.52 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 78' ' ' HIS . 20.2 mt -66.15 -47.39 74.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.985 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.677 ' HG3' HG21 ' A' ' 27' ' ' VAL . 26.8 tt0 -39.46 -53.21 2.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -60.69 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.3 -43.79 43.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -75.76 -44.08 43.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 88' ' ' ALA . 15.9 mt -50.6 -48.18 57.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 87' ' ' LEU . . . -37.18 -38.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -97.05 71.68 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.3 p -80.73 93.98 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.75 -158.64 25.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 160.53 49.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.6 t -114.99 109.03 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 m -50.58 145.32 6.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.444 -179.931 . . . . . . . . 0 0 . 1 stop_ save_